Zeitschrift für Kristallographie - New Crystal Structures

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Volume 236, Issue 4

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Zeitschrift für Kristallographie - New Crystal Structures

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Frontmatter

May 28, 2021

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New Crystal Structures
Open Access
Crystal structure of poly[(μ₂-aqua-tetraaqua-(μ₃-glutarato-κ₄O,O′:O′:O′′)-(μ₅-glutarato-κ₆O:O,O′:O′:O′′:O′′′)distrontium(II)], C₁₀H₂₂O₁₃Sr₂

March 5, 2021

Amira Bouhali, Rawiya Dridi, Chaouki Boudaren, Mhamed Boudraa, Hocine Merazig

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C 10 H 22 O 13 Sr 2 , monoclinic, P21/c$P{2}_{1}/c$ (no. 14), a = 13.9371(13) Å, b = 14.3873(14) Å, c = 9.1536(8) Å, β = 104.958(4)°, V = 1773.3(3) Å 3 , Z = 4, R gt ( F ) = 0.0294, wR ref ( F 2 ) = 0.0785, T = 273(2) K.
Open Access
The crystal structure of acetato-κ¹O-{(2-(2-(2-aminophenoxy)ethoxy)phenyl)(4-oxo-4-phenylbut-2-en-2-yl)amido-κ²N,N′,O}copper(II), C₂₆H₂₆CuN₂O₅

March 4, 2021

Yuanyuan Yang, Li Jin, Zhenyu Zuo, Chen Yanhui, Chen Fang

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C 26 H 26 CuN 2 O 5 , triclinic, P = 1̄ (no. 2), a = 8.8090(5) Å, b = 11.4984(6) Å, c = 12.3941(7) Å, α = 90.11°, β = 106.017(2)°, γ = 100.180(2)°, V = 1185.95(11) Å 3 , Z = 2, R gt (F) = 0.0315, wR ref (F 2 ) = 0.0869, T = 293 K.
Open Access
Crystal structure of dimethanolato-k²O:O-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)dicopper(II), C₃₄H₃₂Cu₂N₁₂O₂S₂

March 4, 2021

Xiang Fang, Jing Yang, Ya‐Wen Zhang, Xin‐Ya Lv, Xia Wang, Ning Song

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C 34 H 32 Cu 2 N 12 O 2 S 2 , triclinic, P1‾$P‾{1}$ (no. 2), a = 7.7970(7) Å, b = 9.6110(9) Å, c = 12.7629(12) Å, α = 71.544(8)°, β = 79.322(8)°, γ = 83.734(8)°, Z = 1, V = 890.21(14) Å 3 , R gt ( F ) = 0.0634, wR ref ( F 2 ) = 0.1827, T = 291(2) K.
Open Access
Crystal structure of poly[diaqua-bis(μ₂-3-(pyrimidin-5-yl)benzoato-κ²N:O)cobalt(II)] dihydrate, [Co(C₁₁H₁₁O₂N₂)₂(H₂O)₂]

March 19, 2021

Jing Wang, Jiahuan Luo, Shengxian Zhai, Niu Yongsheng, Dayong Tian, Chuanxiang Zhang

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[Co(C 11 H 11 O 2 N 2 ) 2 (H 2 O) 2 ], monoclinic, P21/c$P{2}_{1}/c$ (no. 14), a = 8.7117(5) Å, b = 8.7935(5) Å, c = 15.0791(9) Å, β = 103.557(1)°, V = 1122.97(11) Å 3 , Z = 2, R gt ( F ) = 0.0271, wR ref ( F 2 ) = 0.0725, T = 296(2) K.
Open Access
Crystal structure of bis(3,3-dimethyl-1-phenylbut-1-en-2-yl)(trimethylsilyl)amido-k¹N)zinc(II), Zn(C₁₅H₂₄NSi)₂

March 15, 2021

Jun-Hong Wang, Hong-Bo Tong, Meng-Liang Wang, Hai-Yan Yuan

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Zn(C 15 H 24 NSi) 2 , triclinic, P1‾$P‾{1}$ (no. 2), a = 8.828(3) Å, b = 9.458(3) Å, c = 10.786(3) Å, α = 74.609(4)°, β = 73.915(4)°, γ = 64.888(4)°, V = 772.1(4) Å 3 , Z = 1, R gt ( F ) = 0.0476, wR ref ( F 2 ) = 0.1225, T = 293 K.
Open Access
Crystal structure of catena-poly[(μ₂-methanolato-κ²O:O)-(μ₂-1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ²N:N′)-(thiocyanato-κ¹N)copper(II)] 0.25 hydrate, C₁₇H₁₆CuN₆OS ⋅ 0.5H₂O

March 26, 2021

Ya-Wen Zhang, Xin-Ling Wang, Jing Yang, Xia Wang, Xian-Xian Yuan, Xin-Ya Lv

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C 17 H 16 CuN 6 OS ⋅ 0.5H 2 O, monoclinic, P 2 1 / c (no. 14), a = 10.3523(4) Å, b = 18.2609(9) Å, c = 9.9688(4) Å, β = 103.918(4)°, Z = 4, V = 1829.21(13) Å 3 , R gt ( F ) = 0.0409, wR ref ( F 2 ) = 0.1099, T = 291(2) K.
Open Access
The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C₆H₈IN₃O₂

March 19, 2021

Chao-Jun Du, De-Long Niu, Shi-Li Zheng, Yan Zeng

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C 6 H 8 IN 3 O 2 , monoclinic, P 2 1 / n (no. 14), a = 7.0704(3) Å, b = 15.7781(6) Å, c = 9.1495(4) Å, β = 112.114(1)°, V = 945.61(7) Å 3 , Z = 4, R gt ( F ) = 0.0187, wR ref ( F 2 ) = 0.0522, T = 150(2) K.
Open Access
The crystal structure of 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, C₆H₉ClN₂O₇

March 31, 2021

Siyu Hou, Penggang Ren, Yan Zeng

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C 6 H 9 ClN 2 O 7 , triclinic, P 1‾$\bar{1}$ (no. 2), a = 6.8667(4) Å, b = 7.5196(4) Å, c = 10.0908(5) Å, α = 74.237(2) ∘ , β = 81.603(3) ∘ , γ = 88.888(3) ∘ , V = 495.95(5) Å 3 , Z = 2, R gt ( F ) = 0.0377, wR ref ( F 2 ) = 0.0902, T = 150(2) K.
Open Access
Crystal structure of 7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene from Arundina graminifolia, C₁₆H₁₆O₃

May 24, 2021

Xing-Yu Zhang, Wei-chi Chen, Mei-Feng Liu

Page range: 729-730

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C 16 H 16 O 3 , monoclinic, P 2 1 / n (no. 14), a = 8.548(3) Å, b = 13.426(4) Å, c = 11.369(3) Å, β = 103.0934°, V = 1270.7(7) Å 3 , Z = 4, R gt ( F ) = 0.0421, wR ref ( F 2 ) = 0.1243, T = 296(2) K.
Open Access
Crystal structure of 6,6′-((1E, 1′E)-(((1R, 2R)-1,2-diphenylethane-1,2-diyl) bis(azanylylidene))bis(methanylylidene))bis(2-ethylphenol), C₃₂H₃₂N₂O₂

March 12, 2021

Zeng-Bing Xu, Jing-Yuan He, Da-Bin Shi

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C 32 H 32 N 2 O 2 , orthorhombic, P212121$P{2}_{1}{2}_{1}{2}_{1}$ (no. 19), a = 9.78920(12) Å, b = 12.71913(14) Å, c = 20.9423(3) Å, V = 2607.53(5) Å 3 , Z = 4, R gt (F) = 0.0535, wR ref ( F 2 ) = 0.1365, T = 149.99(10) K.
Open Access
The crystal structure of 2-amino-5-carboxypyridin-1-ium iodide monohydrate, C₆H₉IN₂O₃

May 12, 2021

Yan Zeng, Chao-Jun Du

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C 6 H 9 IN 2 O 3 , monoclinic, P21/c$P{2}_{1}/c$ (no. 14), a = 9.3654(2) Å, b = 8.0312(2) Å, c = 12.7668(3) Å, β = 107.825(1) ° , V = 914.16(4) Å 3 , Z = 4, R gt ( F ) = 0.0156, wR ref ( F 2 ) = 0.0354, T = 150(2) K.
Open Access
The crystal structure of 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C₁₆H₁₁BF₂N₂

April 1, 2021

Siyi Ding, Zong-Cheng Miao

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C 16 H 11 BF 2 N 2 , monoclinic, P 2 1 / c (no. 14), a = 9.0978(14) Å, b = 18.580(3) Å, c = 15.476(2) Å, β = 99.516(5)°, V = 2580.0(7) Å 3 , Z = 8, R gt ( F ) = 0.0406, wR ref ( F 2 ) = 0.1307, T = 193 K.
Open Access
Crystal structure of bis{(2-pyridinyl)-1-phenyl-1-isopropylmethanolato-κ²N,O}nickel, C₃₀H₃₂N₂NiO₂

March 31, 2021

Nijal K. Singh, Lynette Soobramoney, Mzamo L. Shozi, Holger B. Friedrich, Sizwe J. Zamisa

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C 30 H 32 N 2 NiO 2 , monoclinic, P21/c$P{2}_{1}/c$ (no. 14), a = 12.1250(4) Å, b = 13.6413(4) Å, c = 8.1152(3) Å, β = 108.348(2)°, V = 1274.02(7) Å 3 , Z = 2, R gt ( F ) = 0.0285, wR ref ( F 2 ) = 0.0711, T = 100 K.
Open Access
Crystal structure of poly[(m₃-3-carboxyadamantane-1-carboxylato-κ³O:O′:O″)-(phenanthroline-κ²N,N′)sodium(II)], C₂₄H₂₃N₂NaO₄

March 30, 2021

Wang Li-Hua, Liu Li-Li, Cao Shu-Hua, Tai Xi-Shi

Page range: 745-747

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C 24 H 23 N 2 NaO 4 , monoclinic, P 2 1 / c (no. 14), a = 7.5246(5) Å, b = 22.554(2) Å, c = 11.3358(9) Å, β = 91.881(7)°, V = 1922.8(3) Å 3 , Z = 4, R gt ( F ) = 0.0496, wR ref ( F 2 ) = 0.1184, T = 100K.
Open Access
Crystal structure of 2-phenylethynyl-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C₂₂H₂₀B₂F₄N₄

March 30, 2021

Yingfan Liu, Saisai Sun, Guangqian Ji, Xiaochuan Li, Young-A Son

Page range: 749-752

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C 22 H 20 B 2 F 4 N 4 , orthorhombic, Pbca (no. 61), a = 9.2506(2) Å, b = 36.1677(13) Å, c = 12.9475(3) Å, V = 4331.9 Å 3 , Z = 8, R gt ( F ) = 0.0729, wR ref ( F 2 ) = 0.1992, T = 294.4 K.
Open Access
Crystal structure of 4-tert-butyl-2-N-(2-pyridylmethyl)aminophenol, C₁₆H₂₀N₂O

March 30, 2021

Sipho Buthelezi, Halliru Ibrahim, Muhammad D. Bala, Holger B. Friedrich

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C 16 H 20 N 2 O, monoclinic, P21/c$P{2}_{1}/c$ (no. 14), a = 9.7933(2) Å, b = 17.5290(3) Å, c = 17.1148(3) Å, β = 101.242(1)°, V = 2881.67(9) Å 3 , Z = 8, R gt ( F ) = 0.0402, wR ref ( F 2 ) = 0.1106, T = 150(2) K.
Open Access
The crystal structure of (3Z,3′Z)-4,4′-((1,4-phenylenebis(methylene))bis(azanediyl))bis(pent-3-en-2-one), C₁₈H₂₄N₂O₂

March 31, 2021

Yingcong Xiao

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C 18 H 24 N 2 O 2 , triclinic, P 1‾$‾{1}$ (no. 2), a = 6.088(10) Å, b = 8.911(14) Å, c = 16.44(3) Å, α = 81.772(17)°, β = 84.683(18)°, γ = 76.045(17)°, V = 855(2) Å 3 , Z = 4, R gt ( F ) = 0.0511, wR ref ( F 2 ) = 0.1858, T = 293 K.
Open Access
Crystal structure of (morpholine-1-carbodithioato-κ²-S,S′)bis(triphenylphosphine-κ-P)gold(I), C₄₁H₃₈AuNOP₂S₂

March 31, 2021

Tunde L. Yusuf, Michael N. Pillay, Sizwe J. Zamisa, Werner E. van Zyl

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C 41 H 38 AuNOP 2 S 2 , triclinic, P 1‾$‾{1}$ (no. 2), a = 10.0821(2) Å, b = 12.9409(2) Å, c = 14.7183(3) Å, α = 76.207(1)°, β = 80.444(1)°, γ = 75.592(1)°, V = 1794.63(6) Å 3 , Z = 2, R gt ( F ) = 0.0170, wR ref ( F 2 ) = 0.0407, T = 150 K.
Open Access
Crystal structure of 1,4-bis(4-bromobenzyl)-4-(4-chlorophenyl)-1,4-dihydropyridine-3-carbonitrile, C₂₆H₁₉Br₂ClN₂

March 29, 2021

Han-Qiao Shao, Yin-Xin Wang, Hai-Yang Sun, Yu-Cai Wang, Wu-Ji Sun

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C 26 H 19 Br 2 ClN 2 , triclinic, P 1‾$‾{1}$ (no. 2), a = 9.4830(12) Å, b = 10.2313(12) Å, c = 13.5948(18) Å, α = 111.234(2)°, β = 98.025(2)°, γ = 101.707(2)°, V = 1170.6(3) Å 3 , Z = 2, R gt ( F ) = 0.0444, wR ref ( F 2 ) = 0.1273, T = 296 K.
Open Access
The crystal structure of fac-tricarbonyl (N′-benzoyl-N,N-diphenylcarbamimidothioato-κ²S,O)-(pyrazole-κN)rhenium(I) — methanol (1/1) C₂₆H₂₃O₄N₄SRe

March 17, 2021

Wesley K. Komane, Pennie Mokolokolo, Banele Vatsha, Amanda-Lee E. Manicum

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C 26 H 23 O 4 N 4 SRe, triclinic, P 1‾$\bar{1}$ (no. 2), a = 9.919(2) Å, b = 11.752(3) Å, c = 12.717(3) Å, α = 111.098(7)°, β = 94.467(7)°, γ = 98.295(7)°, V = 1354.9(5) Å 3 , Z = 2, R gt ( F ) = 0.0342, wR ref ( F 2 ) = 0.0843, T = 102.0(2) K.
Open Access
The crystal structure of Ba₂Mn(SeO₃)₂Cl₂ containing ¹_∞[Mn(SeO₃)₂Cl₂]⁴⁻ chains

April 26, 2021

Lei Geng

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Ba 2 Mn(SeO 3 ) 2 Cl 2 , orthorhombic, Pnnm (no. 58), a = 6.7685(5) Å, b = 12.8618(10) Å, c = 5.4685(4) Å, V = 476.06(6) Å 3 , Z = 2, R gt ( F ) = 0.0191, wR ref ( F 2) = 0.0854, T = 298(2) K. CCDC no.: 2076756
Open Access
Crystal structure of 3,3′,3″-((1E,1′E,1″E)-((nitrilotris(ethane-2,1-diyl))tris(azaneylylidene)) tris(methaneylylidene))tris(4-hydroxy-1-naphthaldehyde) monohydrate, C₄₂H₃₆N₄O₆·H₂O

April 26, 2021

Qing Shi, Qi-Long Zhang, Hong Xu, Ya-Li Huang

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C 42 H 38 N 4 O 7 , triclinic, P1‾$P\bar{1}$ (no. 2), a = 11.8563(6) Å, b = 12.6263(6) Å, c = 13.4492(6) Å, α = 113.563(2)°, β = 96.740(2)°, γ = 104.429(2)°, V = 1733.07(15) Å 3 , Z = 2, R gt ( F ) = 0.0470, wR ref ( F 2 ) = 0.1248, T = 301.72 K.
Open Access
The crystal structure of 4-(6-acetyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)benzonitrile, C₁₄H₁₂N₆O

April 26, 2021

Wenxiang Wang

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C 14 H 12 N 6 O, monoclinic, P 2 1 / c (no. 14), a = 17.827(4) Å, b = 11.021(2) Å, c = 7.0936(14) Å, β = 100.59(3)°, V = 1370.0(5) Å 3 , Z = 4, R gt ( F ) = 0.0824, wR ref ( F 2 ) = 0.2208, T = 293 K.
Open Access
Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C₂₁H₁₈O₅

April 26, 2021

Wei Sun, Yan Wang, Xiao-ping Zhou, Mu-xin Zhang, Jin-zhu Yang, Di Liang

Page range: 779-780

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C 21 H 18 O 5 , monoclinic, P 2 1 (no. 4), a = 9.1511(4) Å, b = 5.6679(3) Å, c = 16.7731(9) Å, β = 93.435(2)°, V = 868.42(8) Å 3 , Z = 2, R gt ( F ) = 0.0410, wR ref ( F 2 ) = 0.1204, T = 296(2) K.
Open Access
The crystal structure of ethyl 5-methyl-7-(4-(phenylthio)phenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C₂₀H₁₉N₅O₂S

April 22, 2021

Wenxiang Wang

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C 20 H 19 N 5 O 2 S, monoclinic, C 2/ c (no. 15), a = 18.861(4) Å, b = 12.000(2) Å, c = 17.787(4) Å, β = 105.15(3)°, V = 3885.7(15) Å 3 , Z = 8, R gt ( F ) = 0.0654, wR ref ( F 2 ) = 0.1538, T = 293(2) K.
Open Access
Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C₂₅H₂₄N₈O₂·4H₂O·2C₃H₇NO

April 22, 2021

Ying Xiong, Ya An

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C 31 H 46 N 10 O 8 , monoclinic, P 2/ n (no. 13), a = 8.8207(6) Å, b = 9.7818(8) Å, c = 20.9498(17) Å, β = 97.259(3)°, V = 1793.1(2) Å 3 , Z = 2, R gt ( F ) = 0.0426, wR ref ( F 2 ) = 0.1269, T = 273 K.
Open Access
Synthesis and crystal structure of 4-(2,4-dinitrophenoxy)benzaldehyde, C₁₃H₈N₂O₆

April 19, 2021

Chen-Hong Hao, Jiao Meng, Jing Tian, Xiao-Fang Luo, Zong-Cheng Wang

Page range: 789-790

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C 13 H 8 N 2 O 6 , triclinic, P1‾$P\bar{1}$ (no. 2), a = 6.9561(5) Å, b = 7.3040(5) Å, c = 13.2883(8) Å, α = 100.988(3)°, β = 95.557(3)°, γ = 107.424(3)°, V = 623.76(7) Å 3 , Z = 2, R gt ( F ) = 0.0376, wR ref ( F 2 ) = 0.1008, T = 150(2) K.
Open Access
The crystal structure of 1-dodecylpyridin-1-ium bromide monohydrate, C₁₇H₃₂BrNO

April 26, 2021

Yanwen Sun, Zhen Chen, Xiaozhong Wang

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C 17 H 32 BrNO, triclinic, P1‾$P\bar{1}$ (no. 2), a = 5.344(3) Å, b = 7.871(5) Å, c = 23.614(15) Å, α = 95.990(12)°, β = 95.747(12)°, γ = 98.386(12)°, V = 970.5(11) Å 3 , Z = 2, R gt ( F ) = 0.0550, wR ref ( F 2 ) = 0.1527, T = 293(2) K. CCDC no.: 1983264
Open Access
Crystal structure of (E)-amino(2-(4-(dimethylamino)benzylidene)hydrazineyl)methaniminium nitrate, C₁₀H₁₆N₆O₃

April 26, 2021

Xiao-Jing Liu, E. Liu, Ze-Sen Jin, Zhuang-Yu Li, Fang-Fang Jian, Tongling Liang

Page range: 795-796

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C 10 H 16 N 6 O 3 , monoclinic, P21/c$P{2}_{1}/c$ (no. 14), a = 7.2312(1) Å, b = 17.7721(3) Å, c = 11.0146(2) Å, β = 104.557°, V = 1370.08(4) Å 3 , Z = 4, R gt ( F ) = 0.0532, wR ref ( F 2 ) = 0.1537, T = 170.0 K.
Open Access
Crystal structure of (E)-(2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methaniminium nitrate monohydrate, C₆H₁₂N₆O₄

April 23, 2021

Ze-Sen Jin, Xiao-jing Liu, Zhuang-Yu Li, E. Liu, Fang-fang Jian, Tongling Liang

Page range: 797-798

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C 6 H 12 N 6 O 4 , monoclinic, P 2 1 / n (no. 14), a = 7.3652(3) Å, b = 16.8683(7) Å, c = 8.3779(3) Å, β = 101.525(4)°, V = 1019.87(7) Å 3 , Z = 4, R gt ( F ) = 0.0349, w R ref ( F 2 ) = 0.1018, T = 170 K.
Open Access
The crystal structure of hexakis(1-propylimidazole-κ¹N)copper(II) dichloride, C₃₆H₆₀Cl₂CuN₁₂

April 12, 2021

Qingpeng He, Gang Liu, Zechun Xue

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C 36 H 60 Cl 2 CuN 12 , monoclinic, P 2 1 / c (no. 14), a = 8.3112(2) Å, b = 15.9513(4) Å, c = 17.1068(4) Å, β = 99.671(2)° V = 2235.69(9) Å 3 , Z = 2, R gt ( F ) = 0.0523, wR ref ( F 2 ) = 0.1606, T = 298(2) K.
Open Access
The crystal structure of bis{(μ₂-3,3-dimethyl-1-phenylbut-1-en-2-yl)((dimethylamino)dimethylsilyl)amido-κ³N,N′:N′}dilithium, C₃₂H₅₄Li₂N₄Si₂

April 14, 2021

Hong-Bo Tong, Meng-Liang Wang

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C 32 H 54 Li 2 N 4 Si 2 , monoclinic, P 2 1 / n (no. 14), a = 11.611(4) Å, b = 11.157(6) Å, c = 13.307(5) Å, β = 100.12(3)°, V = 1697.0(12) Å 3 , Z = 2, R gt ( F ) = 0.0622, wR ref ( F 2 ) = 0.1561, T = 213 K.
Open Access
The crystal structure of methyl 4-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C₁₈H₁₅BN₂O₂

April 12, 2021

Huaping Ren, Zong-Cheng Miao

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C 18 H 15 BN 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 6.8522(9) Å, b = 8.4333(11) Å, c = 13.1908(18) Å, β = 95.880(5)°, V = 758.24(17) Å 3 , Z = 2, R gt ( F ) = 0.0381, wR ref ( F 2 ) = 0.1068, T = 193 K. CCDC no.: 2045109
Open Access
Crystal structure of (E)-N-(1-((2-chlorothiazol-5-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide, C₁₁H₇ClF₃N₃OS

April 12, 2021

Benbo Zhao, Changchun Yuan, Miao-Miao Xun, Kai Fu

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C 11 H 7 ClF 3 N 3 OS, monoclinic, C 2/ c (no. 15), a = 21.9623(8) Å, b = 9.7431(4) Å, c = 16.1379(5) Å, β = 132.0530(10)°, V = 2564.09(16) Å 3 , Z = 8, R gt ( F ) = 0.0456, wR ref ( F 2 ) = 0.0938, T = 170 K.
Open Access
Crystal structure of N′, N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis (methaneylylidene))di(picolinohydrazide) – water – methanol (1/1/1), C₂₅H₂₄N₈O₂·H₂O·CH₃OH

April 12, 2021

Ying Xiong, Ya An

Page range: 811-813

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C 26 H 30 N 8 O 4 , triclinic, P1‾$P‾{1}$ (no. 2), a = 8.0277(6) Å, b = 11.1460(10) Å, c = 15.8921(13) Å, α = 99.439(3)°, β = 102.525(3)°, γ = 95.309(3)°, V = 1357.17(19) Å 3 , Z = 2, R gt ( F ) = 0.0442, wR ref ( F 2 ) = 0.1167, T = 273 K.
Open Access
Crystal structure of 3-(2-chloro-benzyl)-7-[4-(2-chloro-benzyl)-piperazin-1-yl]-5,6,8-trifluoro-3H-quinazolin-4-one, C₂₆H₂₁Cl₂F₃N₄O

May 3, 2021

Shu-Fen Fang, Wen-Wen Peng, Yuan-Zhen Xiong, Xu-Liang Nie, Jian-Ping Huang

Page range: 815-817

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C 26 H 21 Cl 2 F 3 N 4 O, monoclinic, Pc (no. 7), a = 21.218(6) Å, b = 5.9599(16) Å, c = 9.439(3) Å, β = 99.295(3)°, V = 1177.9(5) Å 3 , Z = 2, R gt ( F ) = 0.0471, w R ref ( F 2 ) = 0.1282, T = 296(2) K.
Open Access
Crystal structure of N¹,N²-bis(2-fluorobenzyl)benzene-1,2-diamine,C₂₀H₁₈F₂N₂

April 9, 2021

Zhi Wei Ning, Lin Ling Gan, Shu Jing Zhou, Jie Tian, Yu Hui Du, Hui Zhen Zhang

Page range: 819-820

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C 20 H 18 F 2 N 2 , monoclinic, P 2 1 / c (no. 14), a = 12.4233(11) Å, b = 7.3805(7) Å, c = 18.9531(16) Å, β = 104.109(3)°, V = 104.109(3) Å 3 , Z = 4, R gt ( F ) = 0.0464, wR ref ( F 2 ) = 0.1201, T = 296(2) K.
Open Access
The crystal structure of 2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C₁₇H₁₃BN₂O₂

April 2, 2021

Huaping Ren, Zong-Cheng Miao

Page range: 821-822

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C 17 H 13 BN 2 O 2 , orthorhombic, Pbca (no. 61), a = 10.0820(14) Å, b = 13.1135(19) Å, c = 20.644(3) Å, V = 2729.4 Å 3 , Z = 8, R gt ( F ) = 0.0373, wR ref ( F 2 ) = 0.1005, T = 193 K.
Open Access
The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene)) bis(2-bromo-4-nitrophenol) — dimethylsulfoxide (1/2), C₁₄H₈Br₂N₄O₆⋅2(C₂H₆OS)

April 8, 2021

Ling Ma, Ruoqi Yang, Jianqing Li

Page range: 823-825

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C 14 H 8 Br 2 N 4 O 6 ⋅2(C 2 H 6 OS), triclinic, P1‾$P\bar{1}$ (no. 2), a = 6.1463(12) Å, b = 8.3637(16) Å, c = 12.461(3) Å, α = 85.578(5)°, β = 85.942(5)°, γ = 86.310(5)°, V = 635.9(2) Å 3 , Z = 1, R gt ( F ) = 0.0601, wR ref ( F 2 ) = 0.0983, T = 296 K. CCDC no.: 2057510
Open Access
Selective biocatalytic synthesis and crystal structure of (2R,6R)-hydroxyketaminium chloride, C₁₃H₁₇Cl₂NO₂

April 8, 2021

U. Joost Luelf, Guido J. Reiss, Ansgar Bokel, Vlada B. Urlacher

Page range: 827-829

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C 13 H 17 Cl 2 NO 2 , triclinic, P 1 (no. 1), a = 7.1486(3) Å, b = 7.8265(3) Å, c = 13.6579(5) Å, α = 81.085(3)°, β = 77.487(4)°, γ = 73.335(4)°, Z = 2, V = 711.13(5) Å 3 , R gt ( F ) = 0.0536, wR ref = 0.0878, T = 290 K.
Open Access
Crystal structure of bis{tetraaqua-[μ₃-1-(4-carboxylatophenyl)-5-methyl-1H-pyrazole-3-carboxylate-κ⁴N,O,O′,O″] [μ₂-1-methyl-1H-pyrazole-3,5-dicarboxylate-κ³N,O:O]dicobalt(II)} dihydrate, C₃₆H₄₄Co₄N₈O₂₆

April 1, 2021

Fenfang Li, Xiuping Liu

Page range: 831-833

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C 36 H 44 Co 4 N 8 O 26 , triclinic, P 1‾$‾{1}$ (no. 2), a = 6.6434(4) Å, b = 9.3788(5) Å, c = 18.5581(10) Å, α = 86.262(2)°, β = 89.642(2)°, γ = 84.726(2)°, V = 1148.96(11) Å 3 , Z = 1, R gt ( F ) = 0.0258, ωR ref ( F 2 ) = 0.0679, T = 298(2) K. CCDC no.: 1917980
Open Access
Crystal structure of diethyl-2,2′-naphthalene-2,3-diylbis(oxy)diacetate, C₁₈H₂₀O₆

April 1, 2021

Peipei Li, Yu Huang, Yanru Fan, Hao Wang

Page range: 835-837

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C 18 H 20 O 6 , monoclinic, C 2/ c (no. 15), a = 27.191(3) Å, b = 8.7442(3) Å, c = 20.861(2) Å, β = 136.337(18)°, V = 3424.5(9) Å 3 , Z = 8, R gt ( F ) = 0.0553, wR ref ( F 2 ) = 0.1625, T = 294.7(4) K.
Open Access
Synthesis and crystal structure of poly[(μ₃-2-(2-carboxylatophenyl)-1H-benzo[d]imidazole-5-carboxylato-κO,O′:O′;:O″, O″′)-(μ₂-1-(4-(1Himidazol-1-yl)phenyl)-1H-imidazole-κ²N:N′)cadmium(II)], C₂₇H₁₈CdN₆O₄

May 3, 2021

Qing-Lin Yang, Peng-Kun Fu, Ding-Qi Xiong, Xiao-Yu Zhang, Mei-Mei Jia, Xiu-Yan Dong

Page range: 839-841

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C 27 H 18 CdN 6 O 4 , triclinic, P1‾$P‾{1}$ (no. 2), a = 10.2994(8) Å, b = 10.7795(7) Å, c = 11.0038(7) Å, α = 89.778(5)°, β = 78.046(6)°, γ = 83.049(6)°, Z = 2, V = 1186.11(14) Å 3 , R gt ( F ) = 0.0402, wR ref ( F 2 ) = 0.0809, T = 293 K.
Open Access
The crystal structure of catena-poly[diaqua-bis(μ₂-2-((2-(2-phenylacetyl)hydrazineylidene)methyl)benzoato-κ²O:O')zinc(II)], C₃₂H₃₀N₄O₈Zn

April 28, 2021

Lian-Cai Du, Xi-Shi Tai

Page range: 843-844

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C 32 H 30 N 4 O 8 Zn, triclinic, P1‾$P\bar{1}$ (no. 2), a = 4.4080(3) Å, b = 12.1316(10) Å, c = 14.0769(12) Å, α = 102.810(7)°, β = 97.455(7)°, γ = 97.982(7), V = 716.81(10) Å 3 , Z = 1, R gt ( F ) = 0.0367, wR ref ( F 2 ) = 0.0761, T = 149.99(10) K.
Open Access
The crystal structure of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-naphtho [1,8-de][1,3,2]diazaborinine, C₁₈H₁₇BN₂O₂

May 6, 2021

Qiang Ma, Zong-Cheng Miao

Page range: 845-846

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C 18 H 17 BN 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 12.5782(14) Å, b = 13.6724(14) Å, c = 8.7113(9) Å, β = 97.819(6)°, V = 1484.2(3) Å 3 , Z = 4, R gt ( F ) = 0.0482, wR ref ( F 2 ) = 0.1357, T = 193 K.
Open Access
The crystal structure of hexakis(1-ethylimidazole-κ¹N)nickel(II) dichloride – 1-ethylimidazole (1/2), C₄₀H₆₄Cl₂NiN₁₆

May 13, 2021

Qingpeng He, Sen Liu, Zechun Xue

Page range: 847-849

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C 40 H 64 Cl 2 NiN 16 , monoclinic, P 2 1 / c (no. 14), a = 8.2320(9) Å, b = 16.2902(16) Å, c = 17.3843(17) Å, α = 90°, β = 101.773(3)°, γ = 90°, V = 2282.2(4) Å 3 , Z = 2, R gt ( F ) = 0.0448, wR ref ( F 2 ) = 0.1181, T = 298(2) K.
Open Access
Crystal structure of diaqua-bis(2,4-dinitrophenolato-κ²O,O′)copper(II) 1.5 hydrate, C₁₂H₁₃CuN₄O_13.5

April 29, 2021

Xiao-Jing Liu, Wen-Yu Li, Zi-Yu Guo, E. Liu, Fang-Fang Jian, Tongling Liang

Page range: 851-853

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C 24 H 26 Cu 2 N 8 O 27 , triclinic, P1‾$P‾{1}$ (no. 2), a = 4.7705(1) Å, b = 14.6219(5) Å, c = 14.7418(3) Å, α = 61.225(3)°, β = 85.342(2)°, γ = 83.938(2)°, V = 895.73(5) Å 3 , Z = 1, R gt ( F ) = 0.0485, wR ref ( F 2 ) = 0.1341, T = 170.0 K.
Open Access
Crystal structure of N′,N‴-((1E,1′E)-((decane-1,10-diylbis(oxy))bis(2,1-phenylene)) bis(methaneylylidene))di(isonicotinohydrazide), C₃₆H₄₀N₆O₄

May 11, 2021

Ying Xiong, Chuan Gao

Page range: 855-856

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C 36 H 40 N 6 O 4 , monoclinic, P 2 1 / c (no. 14), a = 11.094(6) Å, b = 17.694(11) Å, c = 8.698(5) Å, β = 103.56(2)°, V = 1659.9(16) Å 3 , Z = 2, R gt ( F ) = 0.0470, wR ref ( F 2 ) = 0.1375, T = 273 K.
Open Access
The crystal structure of 2-[(R)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C₁₉H₂₀NO₂

May 20, 2021

Yi-Ding Geng, Yi-Xia Gong, Shu-Jing Zhou, Gui-Yan Wang

Page range: 857-859

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C 19 H 20 NO 2 , monoclinic, P 2 1 (no. 4), a = 6.6936(4) Å, b = 8.8892(6) Å, c = 13.2577(8) Å, β = 97.740(1)°, V = 781.66(8) Å 3 , Z = 2, R gt ( F ) = 0.0387, wR ref ( F 2 ) = 0.0741, T = 296(2) K.
Open Access
Synthesis and crystal structure of (1E,2E)-3-(anthracen-9-yl)-1-(4-methoxyphenyl)prop-2-en-1-one oxime, C₂₄H₁₉NO₂

May 11, 2021

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

Page range: 861-862

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C 24 H 19 NO 2 , triclinic, P1‾$P‾{1}$ (no. 2), a = 8.3580(17) Å, b = 10.220(2) Å, c = 11.227(2) Å, α = 85.25(3), β = 81.35(3), γ = 88.72(3), V = 944.8(3) Å 3 , Z = 2, R gt ( F ) = 0.0873, wR ref ( F 2 ) = 0.1988, T = 293 K.
Open Access
Synthesis and crystal structure of (2E,2′E)-3,3′-(1,3-phenylene)bis(1-(3-bromophenyl)prop-2-en-1-one), C₂₄H₁₆Br₂O₂

May 7, 2021

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

Page range: 863-864

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C 24 H 16 Br 2 O 2 , orthorhombic, Pnma (no. 62), a = 7.407(3) Å, b = 44.336(16) Å, c = 6.046(2) Å, V = 944.8(3) Å 3 , Z = 4, R gt ( F ) = 0.0602, wR ref ( F 2 ) = 0.1315, T = 293 K.
Open Access
The crystal structure of catena-poly[bis(µ₂-1,2-bis((1H-imidazol-1-yl)methyl)benzene- κ²N:N′)-bis(nitrato-κO)copper(II)], C₂₈H₂₈N₁₀O₆Cu

May 18, 2021

Hai‐Lin Chen, Jian‐Jing Lan, Yue Qin, Dong‐Mei Yao, Yan‐Ping Wang, Meng‐Xi Li, Chuang Tan

Page range: 865-866

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C 28 H 28 N 10 O 6 Cu, triclinic, P1‾$P\bar{1}$ (no. 2), a = 8.6869(7) Å, b = 9.0094(6) Å, c = 9.5839(8) Å, α = 74.288(7)°, β = 87.672(9)°, γ = 76.110(7)°, V = 700.69(11) Å 3 , Z = 1, R gt ( F ) = 0.0492, wR ref ( F 2 ) = 0.0979, T = 293(2) K.
Open Access
Synthesis and crystal structure of the novel chiral acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline, C₂₃H₁₈N₂OS

May 6, 2021

Rabia Usman, Arshad Khan, Moamen S. Refat, Nongyue He

Page range: 867-869

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C 23 H 18 Cl 4 N 2 OS, orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 16.872(3) Å, b = 10.414(2) Å, c = 10.589(2) Å, V = 1860.5(6) Å 3 , Z = 4, R gt ( F ) = 0.0588, wR ref ( F 2 ) = 0.1464, T = 293 K.
Open Access
Crystal structure of (E)-3-(dimethylamino)-1-(thiophen-3-yl)prop-2-en-1-one, C₉H₁₁NOS

May 6, 2021

Miri Yoo, Dongsoo Koh

Page range: 871-872

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C 9 H 11 NOS, monoclinic, P 2 1 / n (no. 14), a = 6.0194(4) Å, b = 20.9249(13) Å, c = 7.7103(5) Å, β = 107.783(2)°, V = 924.75(10) Å 3 , Z = 4, R gt ( F ) = 0.0373, wR ref ( F 2 ) = 0.1061, T = 223(2) K.
Open Access
Crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ³N,O,O′)-(μ₂-4-amino-4H-1,2,4-triazole-κ²N:N′) copper(II)], C₉H₈N₅O₅CuI

May 6, 2021

Benlian Lv

Page range: 873-875

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C 9 H 8 N 5 O 5 CuI, orthorhombic, Pbca (no. 61), a = 11.0801(4) Å, b = 6.8489(3) Å, c = 35.3975(13) Å, Z = 8, V = 2686.20(18) Å 3 , R gt ( F ) = 0.0325, wR ref ( F 2 ) = 0.0707, T = 292 K.
Open Access
Crystal structure of cyclopropane-1,2,3-triyltris(phenylmethanone), C₂₄H₁₈O₃

May 6, 2021

Li Zeng, Gui-Yun Tang, Yu-Cai Wang, Chun-Yan Liu

Page range: 877-878

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C 24 H 18 O 3 , monoclinic, P 2 1 / n (no. 14), a = 5.376(2) Å, b = 15.787(6) Å, c = 21.103(7) Å, β = 92.356(6)°, V = 1789.5(11) Å 3 , Z = 4, R gt ( F ) = 0.0569, wR ref ( F 2 ) = 0.1166, T = 296 K.
Open Access
Crystal structure of bis(amino(thioureido)methaniminium) terephthalate, C₁₂H₁₈N₈O₄S₂

May 6, 2021

Yimin Hou, Zhongyun Zhang, Xin Zhu

Page range: 879-880

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C 12 H 18 N 8 O 4 S 2 , monoclinic, P 2 1 / c (no. 14), a = 13.378(4) Å, b = 5.0129(14) Å, c = 13.396(4) Å, β = 96.118(4)°, V = 893.3(4) Å 3 , Z = 2, R gt ( F ) = 0.0561, wR ref ( F 2 ) = 0.1201, T = 298 K.
Open Access
A three-dimensional Eu(III) framework in the crystal structure of dimethylaminium poly[dimethylformamide-κ¹N)bis(μ₄-terephthalato-κ⁴O:O′:O′′:O′′′)europium(III)] monohydrate, C₂₁H₂₅EuN₂O₁₀

May 12, 2021

Wenqi Song, Yanfang Zhu, Zong-Cheng Miao

Page range: 881-883

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C 21 H 25 EuN 2 O 10 , monoclinic, P 2 1 / n (no. 14), a = 14.1635(8) Å, b = 12.1381(6) Å, c = 14.4528(7) Å, β = 104.361(2)°, V = 2407.1(2) Å 3 , Z = 4, R gt ( F ) = 0.0304, wR ref ( F 2 ) = 0.0893, T = 296 K.
Open Access
Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C₂₁H₂₀O₄

May 6, 2021

Wei Sun, Zhe Shi, Yan Wang, Xiao-ping Zhou, Di Liang

Page range: 885-886

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C 21 H 20 O 4 , monoclinic, P 2 1 (no. 4), a = 5.7726(10) Å, b = 12.662(2) Å, c = 12.068(3) Å, β = 92.377(11)°, V = 881.3(3) Å 3 , Z = 2, R gt ( F ) = 0.0342, wR ref ( F 2 ) = 0.0887, T = 296(2) K.
Open Access
The crystal structure of Hexakis(diethylamido)dimolybdenum, Mo₂(NEt₂)₆

May 18, 2021

Tobias Brauner, Christoph Wagner, Kurt Merzweiler

Page range: 887-889

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C 24 H 60 Mo 2 N 6 , trigonal, R3‾$R\bar{3}$ (no. 148), a = 16.7680(8) Å, c = 9.7523(4) Å, V = 2374.7(2) Å 3 , Z = 3, R gt ( F ) = 0.0205, wR ref ( F 2 ) = 0.0517, T = 213 K.

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