Zeitschrift für Kristallographie - New Crystal Structures

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Volume 239, Issue 3

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Zeitschrift für Kristallographie - New Crystal Structures

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Frontmatter

April 24, 2024

Page range: i-vii

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New Crystal Structures
Open Access
The crystal structure of tris((Z)-2-hydroxy-N-((E)-pyridin-2-ylmethylene)benzohydrazonato-k²O,N)europium(III), C₃₉H₃₀N₉O₆Eu

February 29, 2024

Zhongyuan Zhou, Yong Liu, Yongsheng Niu, Liguo Yang

Page range: 339-341

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C 39 H 30 N 9 O 6 Eu, monoclinic, C 2/ c (no. 15), a = 31.579(6) Å, b = 10.0462(19) Å, c = 27.325(5) Å, β = 121.891(2)°, V = 7360(2) Å 3 , Z = 8, R gt ( F ) = 0.0295, w R ref ( F 2 ) = 0.0835, T = 298 K [1–3].
Open Access
Crystal structure of (E)-3-(benzylideneamino)-2-phenylthiazolidin-4-one, C₁₆H₁₄N₂OS

February 28, 2024

Pule Seboletswe, Sizwe J. Zamisa, Gobind Kumar, Parvesh Singh

Page range: 343-345

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C 16 H 14 N 2 OS, monoclinic, P 2 1 / n (no. 14), a = 13.8369(4) Å, b = 15.8967(4) Å, c = 13.8600(4) Å, β = 109.983(1)°, V = 2865.11(14) Å 3 , Z = 8, R gt ( F ) = 0.0439, w R ref ( F 2 ) = 0.1091, T = 296.15 K.
Open Access
The crystal structure of (E)-4-fluoro-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C₁₆H₁₅FN₂O

February 23, 2024

Chuyi Wang, Xiaojing Dai, Guojun Tang, Wei Wang, Yang Zhao

Page range: 347-349

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C 16 H 15 FN 2 O, monoclinic, Pc (no. 7), a = 12.3610(11) Å, b = 15.1269(17) Å, c = 8.1382(6) Å, β = 106.411(9)°, V = 1459.7(2) Å 3 , Z = 4, R gt ( F ) = 0.0565, wR ref ( F 2 ) = 0.1315, T = 293 K.
Open Access
Crystal structure of (6-chloropyridin-3-yl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate, C₂₀H₁₈ClNO₃

February 26, 2024

Jing Bai, Rui-Li Huo, Dong-Fei Li, Ying Yang

Page range: 351-353

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C 20 H 18 ClNO 3 , monoclinic, P 2 1 (no. 4), a = 11.6954(2) Å, b = 5.7274(10) Å, c = 26.5974(5) Å, β = 102.177(10) ° , V = 1741.52(5) Å 3 , Z = 4, R gt ( F ) = 0.0282, wR ref ( F 2 ) = 0.0728, T = 170(2) K.
Open Access
Crystal structure of methyl 3-methoxy-4-(2-methoxy-2-oxoethoxy)benzoate, C₁₂H₁₄O₆

February 27, 2024

Zheng Yan-Ling, Li Miao-Miao

Page range: 355-357

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C 12 H 14 O 6 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 5.3644(9) Å, b = 11.1880(18) Å, c = 11.4159(18) Å, α = 66.378(2)°, β = 79.970(2)°, γ = 78.138(2)°, V = 611.11(17) Å 3 , Z = 2, R gt ( F ) = 0.0430, w R ref ( F 2 ) = 0.1260, T = 296(2) K.
Open Access
The crystal structure of bis[(4-methoxyphenyl)(picolinoyl)amido-κ² N:N′]copper(II), C₂₆H₂₂CuN₄O₄

February 22, 2024

Aisha Salim Alteneiji, Kamrul Hasan, Ihsan Shehadi, Monther A. Khanfar

Page range: 359-361

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C 26 H 22 CuN 4 O 4 , triclinic, P 1 − (no. 2), a = 9.142(3) Å, b = 10.794(3) Å, c = 12.718(4) Å, α = 69.308(11)°, β = 81.326(10)°, γ = 76.862(10)°, V = 1139.9(6) Å 3 , Z = 2, R gt ( F ) = 0.0666, wR ref ( F 2 ) = 0.1966, T = 100(2) K.
Open Access
The crystal structure of poly[di(μ₂-aqua)-diaqua-bis(3-aminopyridine-4-carboxylate-κ² O: O′)-tetra(μ₂-3-aminopyridine-4-carboxylate-κ² O: O′)-dineodymium(III), [Nd₂(C₆H₅N₂O₂)₆(H₂O)₄]_n

February 29, 2024

Xiang-Ping Pan, Zhao-Yan Ping, Wang Zhao, Qing-Hua Zheng

Page range: 363-365

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[Nd 2 (C 6 H 5 N 2 O 2 ) 6 (H 2 O) 4 ] n , monoclinic, P 2 1 / c (no. 14), a = 9.383(3) Å, b = 22.741(6) Å, c = 18.775(5) Å, β = 90.231(5)°, V = 4006(2) Å 3 , Z = 4, R gt ( F ) = 0.0427, wR ref ( F 2 ) = 0.0862, T = 296 K.
Open Access
The crystal structure of t-butyl 7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate, C₂₈H₃₄FNO₄

March 14, 2024

Tchuente Fofeu Alex Vergiro, Tai-Yang Xie, Jing Zou, Xin-Xin Xu, Rou-Han Xu, Cheng-Jun Jiang

Page range: 367-369

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C 28 H 34 FNO 4 , monoclinic, C 2/ c (no. 15), a = 21.7795(12) Å, b = 5.9103(4) Å, c = 39.830(2) Å, β = 100.866(3)°, V = 5035.1(5) Å 3 , Z = 8, R gt ( F ) = 0.0487, w R ref ( F 2 ) = 0.1376, T = 170 K.
Open Access
Crystal structure of catena-poly[(benzylamine-κ¹ N)-(sorbato-κ¹ O)-(μ₂-sorbato-κ² O,O′)-copper(II), C₁₉H₂₃CuNO₄

March 12, 2024

Hyewon Shin, Jaeun Kang, Kang Min Ok, Junghwan Do

Page range: 371-373

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C 19 H 23 CuNO 4 , monoclinic, C 2/ c (no. 15), a = 16.1601(4) Å, b = 23.3298(7) Å, c = 12.8950(3) Å, β = 128.275(1) ∘ , V = 3816.6(2) Å 3 , Z = 8, R gt ( F ) = 0.0620, w R ref ( F 2 ) = 0.1251, T = 296(2) K.
Open Access
Crystal structure of (4-(2-chlorophenyl)-1H-pyrrol-3-yl)(ferrocenyl) methanone, C₂₁H₁₆ClFeNO

February 26, 2024

Cuiya Zhang, Zhoujing Zhu, Wenqiang Tang, Xiaona Xu, Bin Liu

Page range: 375-377

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C 21 H 16 ClFeNO, monoclinic, P 2 1 / c (no. 14), a = 10.3273(5) Å, b = 23.0536(11) Å, c = 7.2835(4) Å, β = 106.078(2)°, V = 1666.24(15) Å 3 , Z = 4, R gt ( F ) = 0.0558, wR ref ( F 2 ) = 0.1219, T = 170 K.
Open Access
The crystal structure of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-methylphenyl)-2-sulfanylprop-2-enamide hydrate, C₁₉H₁₇BrN₂O₂S₂

February 28, 2024

Lei-Qiang Ni, Xiao-Meng Guo, Ze-Lin Wang, Juan Sun

Page range: 379-380

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C 19 H 17 BrN 2 O 2 S 2 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.8069(5) Å, b = 8.0787(5) Å, c = 15.7738(9) Å, α = 97.540(2)°, β = 90.179(2)°, γ = 104.507(2)°, V = 954.13(10) Å 3 , Z = 2, R gt ( F ) = 0.0423, wR ref ( F 2 ) = 0.1134, T = 296.15 K.
Open Access
The crystal structure of N′-{5-[2-(2,6-dimethylphenoxy) acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl}-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide hydrate

March 29, 2024

Tebogo M. L. Mokoto, Andreas Lemmerer, Yasien Sayed, Mark G. Smith

Page range: 381-386

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2(C 37 H 47 N 4 O 5 ·3(H 2 O), triclinic, P 1 (no. 1), a = 11.6319(7) Å, b = 13.9452(7) Å, c = 24.1727(14) Å, α = 106.203°, β = 103.296°, γ = 90.777°, V = 3651.7(4) Å 3 , Z = 4, R gt ( F ) = 0.0682, w R ref ( F 2 ) = 0.1899, T = 123 K.
Open Access
Crystal structure of 2-(naphthalen-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C₂₆H₂₄O₃

February 27, 2024

De-dong Xue, Yu Hou, Li-jian Wan

Page range: 387-389

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C 26 H 24 O 3 , monoclinic, P 2 1 (no. 4), a = 11.4253(9) Å, b = 6.0417(5) Å, c = 14.9373(12) Å, β = 92.718(3)°, V = 1029.94(14) Å 3 , Z = 2, R gt ( F ) = 0.0354, wR ref ( F 2 ) = 0.0875, T = 100(2) K.
Open Access
Crystal structure of naphthalen-1-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C₂₅H₂₂O₃

February 26, 2024

Di Liang, Shan-Shan Wu, Yan Wang, Wei Sun, Xiao-Ping Zhou

Page range: 391-393

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C 25 H 22 O 3 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.1768(2) Å, b = 11.2198(5) Å, c = 27.5938(11) Å, V = 1912.32(13) Å 3 , Z = 4, R gt ( F ) = 0.0319, wR ref ( F 2 ) = 0.0872, T = 100(2) K.
Open Access
Crystal structure of poly[diaqua- (μ₄-5-(1H-1,2,4-triazol-1-yl)benzene-1,3-dicarboxylato-κ⁵N:O,O’:O’’:O’’’)calcium(II), C₁₀H₉CaN₃O₆

February 29, 2024

Xing-Ling Zhao, Qi-Hang Zhang, Jian-Feng Yang, Xue-Yuan Wu

Page range: 395-397

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C 10 H 9 CaN 3 O 6 , monoclinic, P 2 1 / n , a = 9.3441(2) Å, b = 6.6142(2) Å, c = 18.6509(4) Å, β = 92.001(2)°, V = 1151.99(5) Å 3 , Z = 4, R gt ( F ) = 0.0398, w R ref ( F 2 ) = 0.1101, T = 298 K.
Open Access
Crystal structure of (E)-N′-(4-((E)-3-(dimethylamino)acryloyl)-3-hydroxyphenyl)-N, N-dimethylformimidamide, C₁₄H₁₉N₃O₂

March 27, 2024

Wei-Zhong Li, Lian-Hua Xu, Chun-Bo Liang, Hua-Bin Wang

Page range: 399-400

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C 14 H 19 N 3 O 2 , monoclinic, P 2 1 / c (no. 14), a = 8.62239(12) Å, b = 15.3515(3) Å, c = 10.86408(16) Å, β = 99.5170(14)°, V = 1418.25(4) Å 3 , Z = 4, R gt ( F ) = 0.0452, wR ref ( F 2 ) = 0.1354, T = 295.52(10) K.
Open Access
Crystal structure of (E)-3-(dimethylamino)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one, C₁₃H₁₇NO₄

March 29, 2024

Chun-Bo Liang, Wei-Zhong Li, Lian-Hua Xu, Hua-Bin Wang

Page range: 401-403

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C 13 H 17 NO 4 , monoclinic, Cc (no. 9), a = 11.6900(4) Å, b = 8.4868(2) Å, c = 14.1607(5) Å, β = 112.549(4)°, V = 1297.49(8) Å 3 , Z = 4, R gt ( F ) = 0.0373, w R ref ( F 2 ) = 0.1071, T = 295.5 K.
Open Access
Crystal structure of (2-chloropyridin-3-yl)methyl-2-(6-methoxynaphthalen-2-yl)propanoate, C₂₀H₁₈ClNO₃

March 26, 2024

Yang Bai, Xin-ru Zhang, Duo Hao, Ye Gu

Page range: 405-406

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C 20 H 18 ClNO 3 , monoclinic, P 2 1 (no. 4), a = 6.3252(4) Å, b = 7.3424(5) Å, c = 17.8513(12) Å, β = 90.902(2)°, V = 828.95(10) Å 3 , Z = 2, R gt ( F ) = 0.0223, wR ref ( F 2 ) = 0.0593, T = 100(2) K.
Open Access
The crystal structure of diethyl 4-(3,4-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C₂₁H₂₇NO₄

March 18, 2024

Yu Hai-Yan, Zhang Li

Page range: 407-409

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C 21 H 27 NO 4 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 7.5904(17) Å, b = 10.394(2) Å, c = 12.651(3) Å, α = 73.270(4)°, β = 85.888(4)°, γ = 86.078(4)°, V = 952.2(4) Å 3 , Z = 2, R gt ( F ) = 0.0469, wR ref ( F 2 ) = 0.1545, T = 296(2) K.
Open Access
Crystal structure of (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-((4-(2-phenylpropyl)phenyl)ethynyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C₃₆H₄₂O₂

March 15, 2024

Xinling Li, Weijie Deng, Yubing Huang, Jinhui Hu, Yibiao Li

Page range: 411-413

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C 36 H 42 O 2 , monoclinic, P 2 1 / n (no. 4), a = 9.0092(8) Å, b = 9.4264(11) Å, c = 17.2712(16) Å, β = 96.156(8)°, V = 1458.3(3) Å 3 , Z = 2, R gt ( F ) = 0.0509, wR ref ( F 2 ) = 0.1272, T = 150.00(10) K.
Open Access
Synthesis and crystal structure of 4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, C₁₅H₁₃N₃S

March 27, 2024

Zeng Hui-lei, He Ying, Zhang Ding-Wa, Yi Xiu-Guang, Yi Zhi-Qiang

Page range: 415-417

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C 15 H 13 N 3 S, monoclinic, P 2 1 / c (no. 14), a = 9.9017(6) Å, b = 11.7665(6) Å, c = 11.6065(8) Å, β = 96.262(6)°, V = 1344.19(14) Å 3 , Z = 4, R gt ( F ) = 0.0443, w R ref ( F 2 ) = 0.1204, T = 296(2) K.
Open Access
Crystal structure of catena-poly[aqua-(2,6-di-(2-pyridyl)-pyridine-κ³ N,N′, N″)(μ₂-1,4-naphthalene dicarboxylato-κ² O,O′)nickel(II)], C₂₇H₁₉NiN₃O₅

March 26, 2024

Bi Wen-Jie, Chen Hu, Yang Shi-Wei, Wang Xiao-Hong, Xie Fei

Page range: 419-421

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C 27 H 19 NiN 3 O 5 , monoclinic, P 2 1 / c (no. 14), a = 11.082(1) Å, b = 10.480(1) Å, c = 22.719(2) Å, β = 117.76(4)°, V = 2334.9(9) Å 3 , Z = 4, R gt ( F ) = 0.0489, w R ref ( F 2 ) = 0.1271, T = 293 K.
Open Access
Crystal structure of 3-(diphenylphosphoryl)-3-hydroxy-1-phenylpropan-1-one, C₂₁H₁₉O₃P

March 18, 2024

Jiangdong Li, Qianlu Xing, Xin Jin, Qiang Huang, Xiaojuan Ma

Page range: 423-424

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C 21 H 19 O 3 P, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 9.5751(18) Å, b = 10.0602(19) Å, c = 10.307(2) Å, α = 82.979(3)°, β = 78.057(3)°, γ = 65.622(3)°, V = 884.0(3) Å 3 , Z = 2, R gt ( F ) = 0.0429, w R ref ( F 2 ) = 0.1110, T = 296 K.
Open Access
The crystal structure of R,S-{N-[(2-oxidonaphthalen-1-yl)methylidene]phenylglycinato}divinylsilicon, C₂₃H₁₉NO₃Si

March 7, 2024

Uwe Böhme, Sabine Fels

Page range: 425-427

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C 23 H 19 NO 3 Si, monoclinic, P 2 1 / n (no. 14), a = 8.5543(3) Å, b = 24.0927(8) Å, c = 9.7971(4) Å, β = 113.265(3)°, V = 1854.96(12) Å 3 , Z = 4, R gt ( F ) = 0.0355, wR ref ( F 2 ) = 0.0932, T = 153 K.
Open Access
The crystal structure of 1,2,4-tris(bromomethyl)benzene, C₉H₉Br₃

February 29, 2024

Da-Chun Jiang, Hai-Yuan Zhu

Page range: 429-431

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C 9 H 9 Br 3 , monoclinic, P 2 1 (no. 4), a = 8.7420(4) Å, b = 4.4696(2) Å, c = 13.3526(6) Å, β = 97.785(2)°, V = 516.92(4) Å 3 , Z = 2, R gt ( F ) = 0.0235, wR ref ( F 2 ) = 0.0528, T = 150 K. CCDC no.: 2332847
Open Access
Crystal structure of chlorido-[4-(pyridin-2-yl)benzaldehyde-κ² N,C]-(diethylamine-κ¹ N)platinum(II), C₁₆H₁₈ClN₂OPt

March 27, 2024

Weixi Xue

Page range: 433-435

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C 16 H 18 ClN 2 OPt, monoclinic, P 2 1 / c (no. 14), a = 7.2964(19) Å, b = 11.010(3) Å, c = 20.283(5) Å, β = 92.582(3)°, V = 1627.7(7) Å 3 , Z = 4, R gt ( F ) = 0.0433, w R ref ( F 2 ) = 0.1157, T = 296.15 K.
Open Access
Crystal structure of 3-(methoxycarbonyl)-1-(4-methoxyphenyl)-2,3,4,9- tetrahydro-1H-pyrido[3,4-b]indol-2-ium chloride hydrate, C₄₀H₄₈Cl₂N₄O₉

February 27, 2024

Yueru Wang, Xiaolin Dang, Changhua Yang, Wenqiang Tang, Bin Liu

Page range: 437-439

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C 40 H 48 Cl 2 N 4 O 9 , monoclinic, C 2 (no. 5), a = 13.434(2) Å, b = 7.2089(11) Å, c = 20.691(3) Å, β = 95.931(4)°, V = 1993.0(5) Å 3 , Z = 2, R gt ( F ) = 0.0478, wR ref ( F 2 ) = 0.1091, T = 173 K.
Open Access
The crystal structure of 1-(2-chlorobenzyl)-3-(3-chlorophenyl)urea, C₁₄H₁₂Cl₂N₂O

March 12, 2024

Xiaohua Li, Yang Yang, Xiaolin Dang, Wenqiang Tang

Page range: 441-442

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C 14 H 12 Cl 2 N 2 O, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 8.5344(8) Å, b = 12.0204(16) Å, c = 13.4504(13) Å, V = 1379.8(3) Å 3 , Z = 4, R gt ( F ) = 0.0896, wR ref ( F 2 ) = 0.2327, T = 293 K.
Open Access
Hydrothermal synthesis and crystal structure of aqua-tris(4-acetamidobenzoato-κ² O,O′)-(1,10-phenanthroline-κ² N,N′)terbium(III) hydrate C₃₉H₃₆N₅O₁₁Tb

March 28, 2024

Yu-Xuan Xia, Zhuo-Wen Xu, Wei Li, Chang-Hong Li

Page range: 443-445

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C 39 H 36 N 5 O 11 Tb, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 10.3365(12) Å, b = 13.0194(15) Å, c = 15.2064(18) Å, α = 108.769(2)°, β = 94.694(2)°, γ = 100.882(2)°, V = 1880.2(4) Å 3 , Dc = 1.607 g/cm 3 , Z = 2, R gt ( F ) = 0.0315, wR ref ( F 2 ) = 0.0836, T = 296.15 K.
Open Access
The crystal structure of zwitterionic 3-aminoisonicotinic acid, C₆H₆N₂O₂

March 27, 2024

Xinsheng Wang, Xiuge Wang

Page range: 447-449

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C 6 H 6 N 2 O 2 , monoclinic P 2 1 / c (no. 14), a = 6.7909(2) Å, b = 23.9261(7) Å, c = 7.5103(2) Å, β = 95.265(2)°, V = 1215.12(6) Å 3 , Z = 8, R gt ( F ) = 0.0574, w R ref ( F 2 ) = 0.1439, T = 293.
Open Access
The crystal structure of bis{[monoaqua-μ₂-4-[(pyridine-4-carbonyl)-amino]-phthalato-κ³ N:O,O′-(2,2′-bipyridine κ² N,N′)copper(II)]}decahydrate, C₄₈H₅₆N₈O₂₂Cu₂

March 26, 2024

Liu Ying, Tai Xi-Shi

Page range: 451-453

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C 48 H 56 N 8 O 22 Cu 2 , triclinic, P 1̄ (no. 2), a = 9.57725(18) Å, b = 11.06643(19) Å, c = 13.7592(2) Å, α = 110.3563(16)°, β = 98.9048(16)°, γ = 102.5302(15)°, V = 1291.71(4) Å 3 , Z = 1, R gt ( F ) = 0.0410, w R ref ( F 2 ) = 0.1200, T = 165 K.
Open Access
Crystal structure of poly[μ₁₀-4,4′-methylene-bis(oxy)benzoatodipotassium], C₁₅H₁₀K₂O₆

April 4, 2024

Ting T. Wu, Si N. Gu, Zhi Y. Ou, Ting Y. Nie, Yang Liu

Page range: 455-456

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C 15 H 10 K 2 O 6 , orthorhombic, Pna 2 1 (no. 33), a = 11.4410(13) Å, b = 3.9881(5) Å, c = 32.465(4) Å, V = 1481.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0356, w R ref ( F 2 ) = 0.0918, T = 296.15 K.
Open Access
The crystal structure of catena-poly[[tetraaqua[(μ₂-1,4-di(4-methyl-1-imidazolyl)benzene] cobalt(II)]bis(formate)], C₁₆H₂₄CoN₄O₈

March 18, 2024

Yao Xintong, Cai Jin, Yang Bo, Luo Shanshan, Chen Mansheng

Page range: 457-459

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C 16 H 24 CoN 4 O 8 , triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 7.4371(8) Å, b = 7.6451(9) Å, c = 9.9156(12) Å, α = 69.830(6)°, β = 71.245(5)°, γ = 79.653(5)°, V = 499.60(10) Å 3 , Z = 1, R gt ( F ) = 0.0247, w R ref ( F 2 ) = 0.0630, T = 293(2) K.
Open Access
The crystal structure of (E)-2-chloro-5-((2-(nitromethylene)imidazolidin-1-yl)methyl)pyridine, C₁₀H₁₁ClN₄O₂

March 27, 2024

Zhen Chen, Kang Guo, Yanwen Sun, Chang Liu, Sijun Li

Page range: 461-463

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C 10 H 11 ClN 4 O 2 , monoclinic, P 2 1 / c (no. 14), a = 12.7802(17) Å, b = 7.6211(12) Å, c = 12.0486(17) Å, β = 95.551(4)°, V = 1168.0(3) Å 3 , Z = 4, R gt ( F ) = 0.0562, w R ref ( F 2 ) = 0.1172, T = 273(2) K.
Open Access
The crystal structure of (E)-1-(((2-amino-4,5-dimethylphenyl)iminio)methyl)naphthalen-2-olate, C₁₉H₁₈N₂O

March 26, 2024

Hai-Lin Xiong, Jian-Guo Zhang, Hao Zou

Page range: 465-467

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C 19 H 18 N 2 O, orthorhombic, Pna 2 1 (no. 33), a = 21.838(2) Å, b = 13.9663(11) Å, c = 4.9806(4) Å, V = 1519.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0702, w R ref ( F 2 ) = 0.1948, T = 293 K.
Open Access
Crystal structure of N-(acridin-9-yl)-2-(4-methylpiperidin-1-yl) acetamide monohydrate, C₂₁H₂₅N₃O₂

April 5, 2024

Chen Yang Jing, Dan Zhou, Yu Qian Kan, Pei Rong Zhao, Wen Li

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C 21 H 25 N 3 O 2 , triclinic, P 1̄ (no. 2), a = 7.6536(6) Å, b = 11.027(1) Å, c = 12.6899(11) Å, α = 66.863(2)°, β = 80.598(2)°, γ = 71.772(2)°, V = 934.38(14) Å 3 , Z = 2, R gt ( F ) = 0.0679, w R ref ( F 2 ) = 0.1150, T = 296 K.
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The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ² O,O′)-zinc(II), C₁₄H₂₀Cl₂N₄O₄Zn

March 26, 2024

Xinsheng Wang, Xiuge Wang

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C 14 H 20 Cl 2 N 4 O 4 Zn, monoclinic, P 2 1 / n (no. 14), a = 8.562(2) Å, b = 27.953(8) Å, c = 8.804(2) Å, β = 117.092(4)°, V = 1875.9(9) Å 3 , Z = 4, R gt ( F ) = 0.0441, w R ref ( F 2 ) = 0.1031, T = 296 K.
Open Access
The crystal structure of 2,8-diethyl-1,3,7,9-tetramethyl-4λ⁴,5λ⁴-spiro[dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine-5,2′-naphtho[1,8-de][1,3,2]dioxaborinine], C₂₅H₂₉BN₂O₂

April 15, 2024

Ghaferah H. Al-Hazmi, Moamen S. Refat, Rabia Usman, Arshad Khan

Page range: 477-479

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C 25 H 29 BN 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 13.1591(3) Å, b = 13.9362(3) Å, c = 13.0463(3) Å, β = 112.066(3)°, V = 2217.29(10) Å 3 , Z = 4, R gt ( F ) = 0.0419, wR ref ( F 2 ) = 0.1068, T = 150 K.
Open Access
The crystal structure of 5-tert-butyl-2-(5-tert-butyl-3-iodo-benzofuran-2-yl)-3-iodobenzofuran, C₂₄H₂₄I₂O₂

March 18, 2024

Yun Yang, Yuan Gao, Baobao Ji, Dongxia Zhao, Xiaoqiang Zhou, Yuqi Zhang, Jijiang Wang, Erlin Yue

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C 24 H 24 I 2 O 2 , monoclinic, P 2 1 / n (no. 14), a = 11.128(2) Å, b = 5.7775(12) Å, c = 17.607(4) Å, β = 98.87(3)°, V = 1118.4(4) Å 3 , Z = 2, R gt ( F ) = 0.0246, w R ref ( F 2 ) = 0.0537, T = 296(2) K.
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Synthesis and crystal structure of methyl 2-{[4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazole-3-yl]thio} acetate, C₁₈H₁₇N₃O₂S

April 4, 2024

Yuan Xian-Zhu, Zhang Ding-Wa, Yi Xiu-Guang, Zeng Hui-Lei, Yi Zhi-Qiang

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C 18 H 17 N 3 O 2 S, monoclinic, P 2 1 / c (no. 14), a = 10.9713(5) Å, b = 15.4445(8) Å, c = 9.8221(4) Å, β = 98.275(4)°, V = 1646.99(13) Å 3 , Z = 4, R gt ( F ) = 0.0401, wR ref ( F 2 ) = 0.0990, T = 296(2) K.
Open Access
The crystal structure of n-propylammonium bis(2,3-dimethylbutane-2,3-diolato)borate-boric acid (1/1), [C₃H₁₀N][C₁₂H₂₄BO₄]·B(OH)₃

April 9, 2024

Hanna Böhme, Marcus Herbig, Uwe Böhme

Page range: 487-489

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[C 3 H 10 N][C 12 H 24 BO 4 ]·B(OH) 3 , orthorhombic, Fdd 2 (no. 43), a = 30.3986(6) Å, b = 40.4094(13) Å, c = 7.0603(2) Å, V = 8672.8(4) Å 3 , Z = 16, R gt ( F ) = 0.0324, wR ref ( F 2 ) = 0.0828, T = 153 K.
Open Access
Crystal structure of methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C₁₉H₁₇BrN₂O₂

March 15, 2024

Yanli Song, Mo Du, Zhoujing Zhu, Wenqiang Tang, Hongjuan Tong

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C 19 H 17 BrN 2 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 9.3764(3) Å, b = 9.7644(3) Å, c = 17.9519(6) Å, V = 1643.58(9) Å 3 , Z = 4, R gt ( F ) = 0.0270 wR ref ( F 2 ) = 0.0601, T = 170 K.
Open Access
Crystal structure of (4-bromobenzyl)triphenylphosphonium bromide ethanol solvate, C₅₂H₄₈Br₄OP₂

March 26, 2024

Jinke Jiang, Hui Jiang

Page range: 495-496

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C 52 H 48 Br 4 OP 2 , orthorhombic, Pccn (no. 56), a = 20.173(5) Å, b = 12.224(3) Å, c = 18.858(5) Å, V = 4650.2(19) Å 3 , Z = 4, R gt ( F ) = 0.0395, wR ref ( F 2 ) = 0.0906, T = 289(2) K.
Open Access
The crystal structure of unsymmetrical BOPHY C₂₆H₂₇BN₄

April 5, 2024

Ghaferah H. Al-Hazmi, Moamen S. Refat, Rabia Usman, Arshad Khan

Page range: 497-499

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C 26 H 27 BN 4 , monoclinic, C 2/ c (no. 15), a = 38.716(3) Å, b = 9.2723(6) Å, c = 27.3977(18) Å, β = 113.4790(10)°, V = 9021.1(11) Å 3 , Z = 16, R gt ( F ) = 0.0520, wR ref ( F 2 ) = 0.1440, T = 100 K.
Open Access
The crystal structure of Tb₃B₅O₁₁(OH)₂

April 4, 2024

Tobias A. Teichtmeister, Hubert Huppertz

Page range: 501-502

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Tb 3 B 5 O 11 (OH) 2 , orthorhombic, Pnna (no. 52), a = 4.4471(1) Å, b = 13.0934(4) Å, c = 13.9055(3) Å, V = 809.68(4) Å 3 , Z = 4, R gt ( F ) = 0.0260, wR ref ( F 2 ) = 0.0556, T = 301(1) K.
Open Access
The crystal structure of (Z)-4-ethyl-2-((4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3,5-dimethyl-2H-pyrrol-1-ium 2,2'-spirobi[naphtho[1,8-de][1,3,2]dioxaborinin]-2-uide, C₃₇H₃₇BN₂O₄

April 4, 2024

Amnah Mohammed Alsuhaibani, Yazeed M. Asiri, Moamen S. Refat, Rabia Usman, Arshad Khan

Page range: 503-505

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C 37 H 37 BN 2 O 4 , monoclinic, I 2/ a (no. 15), a = 13.8030(3) Å, b = 17.6109(2) Å, c = 14.1059(3) Å, β = 117.524(3)°, V = 3040.83(11) Å 3 , Z = 4, R gt ( F ) = 0.0340, wR ref ( F 2 ) = 0.0867, T = 150 K.
Open Access
Crystal structure of bis(methylammonium) hexadecaselenidopalladate(II), (CH₃NH₃)₂PdSe₁₆

April 4, 2024

Kang-Woo Kim, Jong-Min Noh

Page range: 507-509

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(CH 3 NH 3 ) 2 PdSe 16 , tetragonal, P 4 ‾ b 2 $P\overline{4}b\mathrm{2}$ (no. 117), a = 12.7821(4) Å, c = 7.1123(2) Å, V = 1162.02(8) Å 3 , Z = 2, R gt ( F ) = 0.0306, w R ref ( F 2 ) = 0.0841, T = 223 K.
Open Access
The crystal structure of (2-diphenylphosphanylphenyl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate, C₃₁H₂₆NO₄P

April 9, 2024

Constantin Mamat, Martin Köckerling

Page range: 511-513

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C 31 H 26 NO 4 P, monoclinic, P 2 1 / c (no. 14), a = 16.3835(2) Å, b = 14.5755(2) Å, c = 10.5388(2) Å, β = 95.694(1)°, V = 2504.22(7) Å 3 , Z = 4, R gt ( F ) = 0.0435, wR ref ( F 2 ) = 0.1310, T = 173(2) K.
Open Access
Crystal structure of (E)-6-(4-ethylpiperazin-1-yl)-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C₂₃H₂₅FN₂O

April 3, 2024

Lu Yu, Ji-Peng Wang, Mei-Dan Wang, Wen-Xiao Yu, Yao-Tian Cui, Hao-Xue Gao, Yong-Jun Liu, Gui-Ge Hou

Page range: 515-517

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C 23 H 25 FN 2 O, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 6.5011(2) Å, b = 11.2794(4) Å, c = 14.0796(6) Å, α = 110.246(4)°, β = 97.236(3)°, γ = 98.335(2)°, V = 941.01(6) Å 3 , Z = 2, R gt ( F ) = 0.0476, wR ref ( F 2 ) = 0.1366, T = 293 K.
Open Access
The structure of RUB-56, (C₆H₁₆N)₈ [Si₃₂O₆₄(OH)₈]·32 H₂O, a hydrous layer silicate (2D-zeolite) that contains microporous levyne-type silicate layers

April 5, 2024

Bernd Marler, Antje Gruenewald-Lueke, Hermann Gies, Trees de Baerdemaeker

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C 48 H 200 N 8 O 104 Si 32 , monoclinic, C 2/ m (no. 12), a = 16.2532(14) Å, b = 13.3020(7) Å, c = 16.7771(14) Å, β = 96.476(10)°, V = 3604.07(3) Å 3 , Z = 1, R ( F ) = 0.031, χ 2 = 2.44, R gt ( F ) = , wR ref ( F 2 ) = , T = 293 K.
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Crystal structure of 4-amino-3,5-dibromobenzonitrile, C₇H₄Br₂N₂

April 5, 2024

Jinke Jiang, Hui Jiang

Page range: 523-524

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C 7 H 4 Br 2 N 2 , monoclinic, C 2/ c (no. 15), a = 42.364(10) Å, b = 3.9052(4) Å, c = 23.783(3) Å, β = 120.984(9)°, V = 3373.2(10) Å 3 , Z = 16, R gt ( F ) = 0.0415, wR ref ( F 2 ) = 0.1073, T = 298 K.
Open Access
Crystal structure of 2-(naphthalen-1-yl)ethyl 2-acetoxybenzoate, C₂₁H₁₈O₄

April 15, 2024

Li-Wei Han, Da-Zhuan Lin, De-Dong Xue

Page range: 525-527

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C 21 H 18 O 4 , monoclinic, P 2 1 / c (no. 14), a = 22.2457(10) Å, b = 5.0728(2) Å, c = 15.7045(7) Å, β = 110.012(2)°, V = 1665.22(13) Å 3 , Z = 4, R gt ( F ) = 0.0434, wR ref ( F 2 ) = 0.1023, T = 100(2) K
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Single-crystal structure determination of Tm₃B₁₂O₁₉(OH)₇

April 3, 2024

Tobias A. Teichtmeister, Hubert Huppertz

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Tm 3 B 12 O 19 (OH) 7 , monoclinic, C 2 (no. 5), a = 23.9849(5) Å, b = 4.4400(1) Å, c = 7.0771(1) Å, β = 94.698(1)°, V = 751.13(3) Å 3 , Z = 2, R gt ( F ) = 0.0106, w R ref ( F 2 ) = 0.0247, T = 298(1) K.
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Crystal structure determination of NdB_3.6O₇

April 3, 2024

Tobias A. Teichtmeister, Alexander Hugo Bernhart, Hubert Huppertz

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NdB 3.6 O 7 , orthorhombic, Pmn 2 1 (no. 31), a = 10.4169(4) Å, b = 4.4175(2) Å, c = 4.2566(2) Å, V = 195.88(2) Å 3 , Z = 2, R gt ( F ) = 0.0179, w R ref ( F 2 ) = 0.0405, T = 153(1) K.
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The crystal structure of NdB₆O₈(OH)₅·H₃BO₃

April 4, 2024

Tobias A. Teichtmeister, Alexander Hugo Bernhart, Hubert Huppertz

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NdB 6 O 8 (OH) 5 ·H 3 BO 3 , triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 6.8304(7) Å, b = 7.2004(5) Å, c = 12.707(2) Å, α = 95.479(5)°, β = 98.652(6)°, γ = 101.758(5)°, V = 599.7(2) Å 3 , Z = 2, R gt ( F ) = 0.0378, w R ref ( F 2 ) = 0.0826, T = 289(1) K.
Open Access
Crystal structure of 2-(5-ethylpyridin-2-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C₂₃H₂₅NO₃

April 15, 2024

Rui Li, Yang Liu, Yue-Yao Jiang, Dong-Li Jiang

Page range: 537-539

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C 23 H 25 NO 3 , monoclinic, P 2 1 (no. 4), a = 15.2433(7) Å, b = 5.8687(3) Å, c = 22.3558(11) Å, β = 105.461(2)°, V = 1927.54(16) Å 3 , Z = 4, R gt ( F ) = 0.0413, w R ref ( F 2 ) = 0.1055, T = 100(2) K.
Open Access
Crystal structure of N-(1-(3,4-dimethoxyphenyl)-2-methylpropyl)aniline, C₁₈H₂₃NO₂

April 5, 2024

Qian Zhu, Zhen Yao

Page range: 541-542

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C 18 H 23 NO 2 , monoclinic, C 2/ c (no. 15), a = 23.188(2) Å, b = 7.9820(5) Å, c = 20.6004(15) Å, β = 119.696(7)°, V = 3312.1(5) Å 3 , Z = 8, R gt ( F ) = 0.0923, wR ref ( F 2 ) = 0.1920, T = 293 K.
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Crystal structure of Ba₆Cd₁₂Mn₄SiF₄₈

April 5, 2024

Sun Woo Kim

Page range: 543-545

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Ba 6 Cd 12 Mn 4 SiF 48 , cubic, I m 3 ‾ $Im\overline{3}$ (no. 204), a = 12.57060(10) Å, V = 1986.41(5) Å 3 , Z = 2, R gt ( F ) = 0.0286, wR ref ( F 2 ) = 0.0784, T = 296(2) K.
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Synthesis and crystal structure of 5-fluoro-1-methyl-2-oxo-3-(2-oxochroman-4-yl)indolin-3-yl acetate, C₂₀H₁₆FNO₅

April 4, 2024

Xiao-Li Feng, Chuan-Wen Lei, Ying Zhou, Yan-Li Zhang, Xiang-Jun Mao

Page range: 547-548

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C 20 H 16 FNO 5 , monoclinic, P 2 1 / c (no. 14), a = 9.5235(2) Å, b = 22.1323(2) Å, c = 8.95249(19) Å, β = 101.445(3)°, V = 1779.66(7) Å 3 , Z = 4, R gt ( F ) = 0.0410, wR ref ( F 2 ) = 0.1194, T = 279.5 K.
Open Access
The crystal structure of 6-methacryloylbenzo[d][1,3]dioxol-5-yl 4-nitrobenzenesulfonate, C₁₇H₁₃NO₈S

April 3, 2024

Ailing Zhang, Shu-Fen Hou, Shuhua Cao, Panpan Sun, Guoqing Sui

Page range: 549-550

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C 17 H 13 NO 8 S, monoclinic, P 2 1 / c (no. 14), a = 17.7630(4) Å, b = 7.04725(16) Å, c = 13.7187(3) Å, β = 102.748(2)°, V = 1674.97(7) Å 3 , Z = 4, R gt ( F ) = 0.0557, wR ref ( F 2 ) = 0.1652, T = 273 K.
Open Access
Crystal structure of ethyl 2-(3-benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)- 2,2-difluoroacetate, C₁₉H₁₆F₂N₂O₃

April 5, 2024

Rong Huang, Zhen Yao, Ying Zhou

Page range: 551-552

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C 19 H 16 F 2 N 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 17.5688(15) Å, b = 13.8304(11) Å, c = 7.0600(7) Å, β = 100.254(3) ∘ , V = 1688.1(3) Å 3 , Z = 4, R gt (F) = 0.0516, wR ref (F 2 ) = 0.1424, T = 200(2) K.
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The crystal structure of tetrakis(μ ₂-(1H-benzimidazole-2-methoxo-κ² N,O:O:O)-(n-butanol-κO)-chlorido)-tetranickel(II), C₄₈H₆₈Cl₄N₈O₈Ni₄

April 11, 2024

Yanfei Wang, Xiujuan He, Qian Mao, Jinlan Ji

Page range: 553-555

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C 48 H 68 Cl 4 N 8 O 8 Ni 4 , tetragonal, I 4 1 / a (no. 88), a = 16.9137(5) Å, c = 19.5028(13) Å, V = 5579.2(5) Å 3 , Z = 4, R gt ( F ) = 0.0391, wR ref ( F 2 ) = 0.1221, T = 293 K.
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Synthesis and crystal structure of trans-tetraaqua-bis((1-((7-hydroxy-3-(4-methoxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carbonyl)oxy-κO)zinc(II)hexahydrate, C₄₆H₆₄N₂O₂₈S₂Zn

April 15, 2024

Hai-Lin Chen, Ze-Ping Luo, Ming-Huan Chen, Li-Wei Pan, Jian-Jing Lan, Dong-Mei Yao

Page range: 557-559

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C 46 H 64 N 2 O 28 S 2 Zn, monoclinic, P 2 1 / c (no. 14), a = 18.155(2) Å, b = 9.0872(11) Å, c = 16.373(2) Å, β = 108.095(13)°, V = 2567.6(6) Å 3 , Z = 2, R gt ( F ) = 0.0712, w R ref ( F 2 ) = 0.1295, T = 296.15 K.
Open Access
The crystal structure of 1-(4-carboxybutyl)-3-methyl-1H-imidazol-3-ium hexafluoridophosphate, C₉H₁₅F₆N₂O₂P

April 4, 2024

Zhiwei Mao, Kehua Zhang, Lian Zhou, Wensheng Zou

Page range: 561-563

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C 9 H 15 F 6 N 2 O 2 P, triclinic, P 1̄ (no. 2), a = 8.678(8) Å, b = 9.085(9) Å, c = 10.279(8) Å, α = 84.23(2) ∘ , β = 79.02(2) ∘ , γ = 62.103(14) ∘ , V = 62.10(1) Å 3 , Z = 2, R gt ( F ) = 0.0730, wR ref ( F 2 ) = 0.1663, T = 296 K.
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Crystal structure of 1-(4-chlorophenyl)-4-(2-furoyl)-3-phenyl-1H-pyrazol-5-ol, C₂₀H₁₃ClN₂O₃

April 15, 2024

Qiong Wu, Wei-Ya Zhang, Zi-Mo Zhang, Heng-Qiang Zhang, Tong-Yin Jin

Page range: 565-567

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C 20 H 13 ClN 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 6.2256(5) Å, b = 18.3976(15) Å, c = 14.5582(15) Å, β = 90.555(8)°, V = 1667.4(3) Å 3 , Z = 4, R gt ( F ) = 0.0443, w R ref ( F 2 ) = 0.1003, T = 153(2) K.
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Crystal structure of dimethyl (R)-2-(3-(1-phenylethyl)thioureido)-[1,1′-biphenyl]-4,4′-dicarboxylate, C₂₅H₂₄N₂O₄S

April 9, 2024

Yi Chen, Da-Bin Shi

Page range: 569-571

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C 25 H 24 N 2 O 4 S, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.8049(5) Å, b = 12.2546(8) Å, c = 26.8916(18) Å, V = 2242.5(3) Å 3 , Z = 4, R gt ( F ) = 0.0581, w R ref ( F 2 ) = 0.1560, T = 100 K.
Open Access
The crystal structure of 1-(3-carboxypropyl)-1H-imidazole-3-oxide, C₇H₁₀N₂O₃

April 11, 2024

Song Le, He Dan, Hu Wanghua, Chen LiZhen

Page range: 573-574

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C 7 H 10 N 2 O 3 , monoclinic, Cc (no. 9), a = 8.8611(4) Å, b = 13.8991(7) Å, c = 7.7194(5) Å, β = 124.527(1)°, V = 783.27(7) Å 3 , Z = 4, R gt ( F ) = 0.0493, wR ref ( F 2 ) = 0.1257, T = 170 K.
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Synthesis and crystal structure of dimethyl 4,4′-(propane-1,3-diylbis(oxy))dibenzoate, C₁₉H₂₀O₆

April 5, 2024

Li Miao-Miao, Zheng Yan-Ling

Page range: 575-577

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[C 19 H 20 O 6 ], monoclinic, C 2/ c (no. 15), a = 22.467(2) Å, b = 4.9925(5) Å, c = 15.8059(17) Å, β = 108.500(1)°, V = 1681.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0309, w R ref ( F 2 ) = 0.0852, T = 296(2) K.
Open Access
Crystal structure of methyl-1-(p-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, C₂₀H₂₀N₂O₂

April 11, 2024

Yanrong Gao, Xiaolin Dang, Yanjiao Wang, Bin Liu, Wenqiang Tang

Page range: 579-580

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C 20 H 20 N 2 O 2 , monoclinic, P 2 1 (no. 4), a = 8.3293(4) Å, b = 11.3947(5) Å, c = 8.9536(4) Å, β = 108.489(2)°, V = 805.92(6) Å 3 , Z = 2, R gt ( F ) = 0.0495, wR ref ( F 2 ) = 0.1094, T = 150 K.
Open Access
The crystal structure of 1-(1-adamantan-1-yl)ethyl-3-(3-methoxyphenyl)thiourea, C₂₀H₂₈N₂OS

April 15, 2024

Shahnez Chaouch, Mohamed El-Naggar, Ihsan A. Shehadi, Monther A. Khanfar, Raed A. Al-Qawasmeh

Page range: 581-583

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C 20 H 28 N 2 OS, triclinic, P 1̄ (no. 2), a = 6.7356(10) Å, b = 10.8739(15) Å, c = 13.245(2) Å, α = 75.580(7)°, β = 78.612(7)°, γ = 87.564(7)°, V = 921.0(2) Å 3 , Z = 2, R gt ( F ) = 0.0796, w R ref ( F 2 ) = 0.2666, T = 100(2) K.
Open Access
The crystal structure of N,N′-carbonylbis(2,6-difluorobenzamide), C₁₅H₈F₄N₂O₃

April 15, 2024

Zhongming Zhang, Xiaojuan Xu, Li Sun, Xiaojun Wang, Huabo Zhang

Page range: 585-587

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C 15 H 8 F 4 N 2 O 3 , monoclinic, P 2 1 / n (no. 14), a = 11.2759(7) Å, b = 9.0182(5) Å, c = 14.2235(8) Å, β = 93.834(2)°, V = 1443.13(15) Å 3 , Z = 4, R gt ( F ) = 0.0391, wR ref ( F 2 ) = 0.1067, T = 273.15 K.

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