Zeitschrift für Kristallographie - New Crystal Structures

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Volume 219, Issue 1

February 2014

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

Open Access
Crystal structure of sodium caesium tetrahydrogen-tetraborate tetrahydrate, NaCs[B₄O₅(OH)₄] · 4H₂O

February 11, 2014

J.-G. Zhou, F.-Y. ZhaoI, S.-P. Xia, L. Yang, Y. Lu, J.-J. Wang, S.-Y. Gao

Page range: 1-2

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B 4 CsH 12 NaO 13 , monoclinic, P 12 1 / c 1 (no. 14), a = 8.240(1) Å, b = 11.493(1) Å, c = 12.900(2) Å, β = 92.11(1)°, V = 1220.8 Å3, Z = 4, R gt (F) = 0.023, wR ref (F 2 ) = 0.056, T = 296 K.
Open Access
Refinement of the crystal structure of zirconium monobismuthide, ZrBi

February 11, 2014

M. Boström, Yu. Prots, Yu. Grin

Page range: 3-4

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BiZr, orthorhombic, Cmcm (no. 63), a = 3.858(2) Å, b = 10.770(2) Å, c = 14.325(3) Å, V = 595.2 Å 3 , Z = 12, R gt (F) = 0.026, wR ref (F) = 0.044, T = 293 K.
Open Access
Crystal structure of a mixed dicalcium ferrite, Ca₂Fe_1.66V_0.34O₅

February 11, 2014

N. A. Harringer, H. Presslinger, K. O. Klepp

Page range: 5-6

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Ca 2 Fe 1.66 O 5 V 0.34 , orthorhombic, Pnma (no. 62), a = 5.4171(6) Å, b = 14.774(4) Å, c = 5.584(2) Å, V = 446.9 Å 3 , Z = 4, R gt (F) = 0.032, wR ref (F) = 0.037, T = 294 K.
Open Access
Crystal structure of trithallium-pentabromopalladate(II), Tl₃PdBr₅

February 11, 2014

P. Heines, M. Duchâteau, H.-L. Keller

Page range: 7-8

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Br 5 PdTl 3 , orthorhombic, Pbca (no. 61), a = 7.823(2) Å, b = 16.812(3) Å, c = 17.299(3) Å, V = 2275.1 Å 3 , Z = 8, R gt (F) = 0.045, wR ref (F 2 ) = 0.057, T = 293 K.
Open Access
Crystal structure of di(tetramethylammonium)tetrachloropalladate(II), [N(CH₃)₄]₂[PdCl₄]

February 11, 2014

P. Heines, H.-L. Keller

Page range: 9-10

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C 8 H 24 Cl 4 N 2 Pd, tetragonal, P 4 2 / mnm (no. 136), a = 8.8287(2) Å, c = 11.4264(3) Å, V = 890.6 Å 3 , Z = 2, R gt (F) = 0.024, wR ref (F 2 ) = 0.072, T = 293 K.
Open Access
Crystal structure of lanthanum borocarbide, La₁₀B₉C₁₂

February 11, 2014

V. Babizhetskyy, Hj. Mattausch, A. Simon

Page range: 11-12

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B 9 C 12 La 10 , tetragonal, P 4 1 2 1 2 (no. 92), a = 8.6447(4) Å, c = 25.787(2) Å, V = 1927.1 Å 3 , Z = 4, R gt (F) = 0.043, wR ref (F) = 0.065, T = 293 K.
Open Access
Crystal structure of 4-(4-pyridil)-3,5-dimethylpyrozole hydrate, (C₅H₄N)CH₃(C₃N₂H)CH₃ · H₂O

February 11, 2014

H. Li, Q.-H Jin, S.-Y. Yu, H.-W. Ma, Y. Li

Page range: 13-14

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C 10 H 13 N 3 O, triclinic, P 1̄ (no. 2), a = 7.475(2) Å, b = 9.171(2) Å, c = 15.536(3) Å, α = 80.88(3)°, β = 89.91(3)°, γ = 81.24(3)°, V = 1039.0 Å 3 , Z = 4, R gt (F) = 0.063, wR ref (F 2 ) = 0.085, T = 293K.
Open Access
Crystal structure of 1-benzoyl-2-picoloyl-hydrazine nickel(II)–methylene chloride solvate (1:0.25), Ni[OC(C₆H₅)NHN(C₅H₄N)CO)]₂ · 0.25CH₂Cl₂

February 11, 2014

M. Dieng, M. Gaye, A. S. Sall, R. Welter

Page range: 15-16

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C 26.25 H 20.5 Cl 0.5 NiN 6 O 4 , monoclinic, C 12/ c 1 (no. 15), a = 25.707(1) Å, b = 14.768(1) Å, c = 18.312(1) Å, β = 132.30(5)°, V = 5142.1 Å 3 , Z = 8, R gt (F) = 0.060, wR ref (F 2 ) = 0.176, T = 173 K.
Open Access
Crystal structure of 1,10-phenanthrolinecopper(II) bis(dihydrogen-1,3,5- benzenetricarboxylate), Cu(C₁₂H₈N₂)(C₉H₅O₆)₂

February 11, 2014

M.-L. Hu, Q. Shi, H.-P. Xiao, F. Chen

Page range: 17-18

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C 30 H 18 CuN 2 O 12 , monoclinic, C 12/ c 1 (no. 15), a = 9.9829(8) Å, b = 15.605(1) Å, c = 16.967(1) Å, β = 97.154(1)°, V = 2622.4 Å 3 , Z = 4, R gt (F) = 0.028, wR ref (F 2 ) = 0.082, T = 273 K.
Open Access
Crystal structure of bis[triaqua(2,2-bipyridine)cobalt(II)] 1,2,4,5-benzenetetracarboxylate dihydrate, [Co₂(C₁₀H₈N₂)₂(H₂O)₆(C₁₀H₂O₈)] · 2H₂O

February 11, 2014

M.-L. Hu, M.-D. Ye, H.-P. Xiao, J.-X. Yuan

Page range: 19-20

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C 30 H 34 Co 2 N 4 O 16 , monoclinic, P 12 1 / n 1 (no. 14), a = 12.286(1) Å, b = 7.5947(7) Å, c = 17.925(2) Å, β = 100.007(2)°, V = 1647.1 Å 3 , Z = 2, R gt (F) = 0.025, wR ref (F 2 ) = 0.064, T = 273 K.
Open Access
Crystal structure of 2-(2′,4′-diphenylsulfonylbenzyl)pyridine, C₂₄H₁₉NO₄S₂

February 11, 2014

L. Khedhiri, M. Rzaigui, A. Heynderickx, A. Corval, R. Casalegno

Page range: 21-22

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C 24 H 19 NO 4 S 2 , triclinic, P 1̅ (no. 2), a = 10.319(4) Å, b = 10.275(7) Å, c = 11.31(1) Å, α = 103.01(2)°, β = 96.40(2)°, γ = 64.37(3)°, V = 1053.7 Å 3 , Z = 2, R gt (F) = 0.055, wR ref (F) = 0.056, T = 296 K.
Open Access
Crystal structure of chlorido(phenylselenolato)bis(triphenylphosphine)- platinum(II) –benzene (1:1), Pt(C₆H₅Se)(C₁₈H₁₅P)₂Cl · C₆H₆

February 11, 2014

M.S. Hannu-Kuure, R. Oilunkaniemi, R. S. Laitinen, M. Ahlgren

Page range: 23-25

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C 48 H 41 ClP 2 PtSe, triclinic, P1̅(no. 2), a = 10.1598(2) Å, b = 13.8660(5) Å, c = 14.7308(3) Å, α = 79.595(1)°, β = 86.006(2)°, γ = 87.997(2)°, V = 2035.6 Å 3 , Z = 2, R gt (F) = 0.029, wR ref (F 2 ) = 0.070, T = 150 K.
Open Access
Crystal structure of di(1,10-phenanthroline-N,N′)di[μ-(2-furancarboxylato- O,O′)-μ-(2-furancarboxylato-O,O′:O′)]di(nitrato)disamarium(III), Sm₂(NO)₂(C₅H₃O₃)₄(C₁₂H₈N₂)₂

February 11, 2014

X. Li, Y.-Q. Zou, H.-B. Song

Page range: 26-28

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C 22 H 14 N 3 O 9 Sm, triclinic, P 1̅ (no. 2), a = 10.400(4) Å, b = 10.584(4) Å, c = 11.093(4) Å, α = 81.437(6)°, β = 88.599(6)°, γ = 67.888(5)°, V = 1118.0 Å 3 , Z = 2, R gt (F) = 0.036, wR ref (F 2 ) = 0.069, T = 293 K.
Open Access
Crystal structure of diaqua-bis(pyridine)-μ₂-squarato(1,3)cobalt(II), Co(C₄O₄)(C₅H₅N)₂(H₂O)₂

February 11, 2014

R. Kirchmaier, E. Altin, A. Lentz

Page range: 29-30

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C 14 H 14 N 2 CoO 6 , orthorhombic, Pbca (no. 61), a = 11.325(2) Å, b = 7.959(1) Å, c = 16.664(3) Å, V = 1502.0 Å 3 , Z = 4, R gt (F) = 0.023, wR ref (F 2 ) = 0.060, T = 293 K.
Open Access
Crystal structure of diaqua-bis(pyridine)-μ₂-squarato(1,3)-zinc(II), Zn(C₄O₄)(C₅H₅N)₂(H₂O)₂

February 11, 2014

R. Kirchmaier, E. Altin, A. Lentz

Page range: 31-32

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C 14 H 14 N 2 O 6 Zn, orthorhombic, Pbca (no. 61), a = 7.982(1) Å, b = 12.028(2) Å, c = 15.721(2) Å, V = 1509.4 Å 3 , Z = 4, R gt (F) = 0.030, wR ref (F 2 ) = 0.078, T = 293 K.
Open Access
Crystal structure of tetraaqua-μ₂-pyrazine-zinc(II) squarate, [Zn(H₂O)₄(C₄H₄N₂)](C₄O₄)

February 11, 2014

R. Kirchmaier, E. Altin, A. Lentz

Page range: 33-34

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C 8 H 12 N 2 O 8 Zn, monoclinic, P 12 1 / n 1 (no. 14), a = 7.188(1) Å, b = 11.331(2) Å, c = 7.237(2) Å, β = 91.38(2)°, V = 589.3 Å 3 , Z = 2, R gt (F) = 0.034, wR ref (F 2 ) = 0.091, T = 293 K.
Open Access
Crystal structure of (2-aminopyrimidine)-(pyridine-2,6-dicarboxylato)- copper(II) trihydrate, Cu(C₄H₅N₃)(C₇H₃NO₄) · 3H₂O

February 11, 2014

E. Altin, R. Kirchmaier, A. Lentz

Page range: 35-36

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C 11 H 14 CuN 4 O 7 , triclinic, P 1̅ (no. 2), a = 7.522(2) Å, b = 9.754(3) Å, c = 11.349(3) Å, α = 108.87(3)°, β = 96.53(3)°, γ = 111.55(3)°, V = 706.8 Å 3 , Z = 2, R gt (F) = 0.027, wR ref (F 2 ) = 0.063, T = 293 K.
Open Access
Crystal structure of sodium 4-azidobenzenesulfonate, Na[N₃C₆H₄SO₃]

February 11, 2014

Frank Biesemeier, Klaus Harms, Ulrich Müller

Page range: 37-38

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C 6 H 4 N 3 NaO 3 S, monoclinic, P 12 1 / c 1 (no. 14), a = 17.816(1) Å, b = 8.3131(7) Å, c = 5.9366(5) Å, β = 93.061(6)°, V = 878.0 Å 3 , Z = 4, R gt (F) = 0.026, wR ref (F 2 ) = 0.073, T = 193 K.
Open Access
Crystal structure of bis(μ2-aqua)diaquasodium 4-azidobenzenesulfonate monohydrate, Na(H₂O)₄[N₃C₆H₄SO₃] · H₂O

February 11, 2014

Frank Biesemeier, Klaus Harms, Ulrich Müller

Page range: 39-40

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C 6 H 14 N 3 NaO 8 S, monoclinic, P 12 1 / c 1 (no. 14), a = 7.018(1) Å, b = 27.193(5) Å, c = 7.089(1) Å, β = 92.01(2)°, V = 1352.0 Å 3 , Z = 4, R gt (F) = 0.071, wR ref (F 2 ) = 0.160, T = 193 K.
Open Access
Crystal structure of tetraphenylphosphonium 4-azidobenzenesulfonate, P(C₆H₅)₄[N₃C₆H₄SO₃]

February 11, 2014

Frank Biesemeier, Klaus Harms, Ulrich Müller

Page range: 41-43

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C 30 H 24 N 3 O 3 PS, orthorhombic, Pbca (no. 61), a = 15.9227(6) Å, b = 16.6085(5) Å, c = 39.822(2) Å, V = 10531.1 Å 3 , Z = 16, R gt (F) = 0.034, wR ref (F 2 ) = 0.085, T = 193 K.
Open Access
Crystal structure of dichlorido(N-(biphenyl-2-ylmethyl)-N-(2-ethoxyethyl)]- imidazolidin-2-ylidene(η⁶-hexamethylbenzene)ruthenium, Ru(C₁₂H₁₈)(C₂₀H₂₄N₂O)Cl₂

February 11, 2014

H. Arslan, D. Vanderveer, I. Özdemir, B. Cetinkaya, S. Yasar

Page range: 44-46

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C 32 H 42 Cl 2 N 2 ORu, monoclinic, P 12 1 / c 1 (no. 14), a = 12.930(4) Å, b = 18.094(6) Å, c = 13.655(4) Å, β = 114.00(2)°, V = 2918.4 Å 3 , Z = 4, R gt (F) = 0.046, wR ref (F 2 ) = 0.133, T = 193 K.
Open Access
Crystal structure of (2SR,1′RS)-3-(1-naphthyl)-2-(2-oxocyclopentyl)- propionic acid methyl ester, C₁₉H₂₀O₃

February 11, 2014

M. Berndt, I. Brüdgam, H. Hartl, H.-U. Reißig

Page range: 47-48

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C 19 H 20 O 3 , monoclinic, P 12 1 / n 1 (no. 14), a = 9.214(2) Å, b = 18.470(4) Å, c = 10.194(2) Å, β= 113.451(4)°, V = 1591.6 Å 3 , Z = 4, R gt (F) = 0.042, wR ref (F 2 ) = 0.123, T = 173 K.
Open Access
Crystal structure of (1aSR,5bRS,7aSR,10aRS,10bSR,10cRS)-1a,5b,6,7,7a,8,9, 10,10b,10c-decahydro-10aH-cyclopenta[1,2]phenanthro[9,10-b]oxiren-10a-ol, C₁₇H₂₀O₂

February 11, 2014

M. Berndt, I. Brüdgam, H. Hartl, H.-U. Reißig

Page range: 49-50

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C 17 H 20 O 2 , monoclinic, P 12 1 / n 1 (no. 14), a = 6.618(1) Å, b = 27.538(5) Å, c = 14.951(3) Å, β = 98.768(4)°, V = 2692.8 Å 3 , Z = 8, R gt (F) = 0.054, wR ref (F 2 ) = 0.150, T = 153 K
Open Access
Crystal structure of 1-isopropyl-15-oxatetracyclo[11.2.1.02,11.05,10]hexadeca- 3,5(10),6,8-tetraen-14-one, C₁₈H₂₀O₂

February 11, 2014

M. Berndt, I. Brüdgam, H. Hartl, H.-U. Reißig

Page range: 51-52

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C 18 H 20 O 2 , monoclinic, C 12/ c 1 (no. 15), a = 21.370(4) Å, b = 5.642(1) Å, c = 23.686(5) Å, β = 104.346(5)°, V = 2767.0 Å 3 , Z = 8, R gt (F) = 0.042, wR ref (F 2 ) = 0.112, T = 173 K.
Open Access
Crystal structure of (2RS,4SR,4aSR)-1-acetyl-2-(1-methylethyl)-4-hydroxy- 4-methyl-1,2,3,4,4a,7-hexahydroquinoline, C₁₅H₂₂NO₂

February 11, 2014

S. Gross, I. Brüdgam, H. Hartl, H.-U. Reißig

Page range: 53-54

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C 15 H 22 NO 2 , monoclinic, P 12 1 / c 1 (no. 14), a = 9.644(1) Å, b = 8.750(1) Å, c = 16.666(2) Å, β = 103.733(2)°, V = 1366.1 Å 3 , Z = 4, R gt (F) = 0.046, wR ref (F 2 ) = 0.146, T = 153 K.
Open Access
Crystal structure of (4SR,4aSR)-1-acetyl-4-hydroxy-4,8-dimethyl-1,2,3,4, 4a,7-hexahydroquinoline, C₁₃H₁₉NO₂

February 11, 2014

S. Gross, I. Brüdgam, H. Hartl, H.-U. Reißig

Page range: 55-56

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C 13 H 19 NO 2 , monoclinic, P 12 1 / c 1 (no. 14), a = 8.399(2) Å, b = 17.386(5) Å, c = 9.043(2) Å, β = 113.872(4)°, V = 1207.6 Å 3 , Z = 4, R gt (F) = 0.054, wR ref (F 2 ) = 0.167, T = 213 K.
Open Access
Crystal structure of (9aRS,10SR,10aRS)-8-methoxy-10-methyl-1,2,3,5,7, 9a,10,10a-octahydropyrrolo[1,2-b]isoquinoline-10-ol, C₁₄H₂₁NO₂

February 11, 2014

S. Gross, I. Brüdgam, H. Hartl, H.-U. Reißig

Page range: 57-58

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C 14 H 21 NO 2 , monoclinic, P 12 1 / c 1 (no. 14), a = 10.597(2) Å, b = 12.684(3) Å, c = 9.790(2) Å, β = 104.466(4)°, V = 1274.2 Å 3 , Z = 4, R gt (F) = 0.042, wR ref (F 2 ) = 0.126, T = 173 K.
Open Access
Crystal structure of cis-(5E)-phenylmethylidenedecahydro-4aH-benzo[a]- cyclohepten-4a-ol, C₁₈H₂₄O

February 11, 2014

A. Hölemann, I. Brüdgam, H. Hartl, H.-U. Reißig

Page range: 59-60

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C 18 H 24 O, tetragonal, P 4 2 / n (no. 86), a = 13.885(2) Å, c = 14.833(3) Å, V = 2859.7 Å 3 , Z = 8, R gt (F) = 0.044, wR ref (F 2 ) = 0.129, T = 173 K.
Open Access
Crystal structure of N,N,N′,N′-tetra-m-tolyl-anthracene-9,10-diamine, C₄₂H₃₆N₂

February 11, 2014

M.-X. Yu

Page range: 61-62

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C 42 H 36 N 2 , monoclinic, P 12 1 / c 1 (no. 14), a = 8.279(3) Å, b = 16.998(6) Å, c = 11.812(4) Å, β = 93.599(7)°, V = 1659.0 Å 3 , Z = 2, R gt (F) = 0.068, wR ref (F 2 ) = 0.161, T = 295 K.
Open Access
Crystal structure of (μ₂-1,4-cyclohexanedicarboxylato)(1,10-phenanthroline)- copper(II) monohydrate, Cu(C₁₂H₈N₂)(C₈H₁₀O₄) · H₂O

February 11, 2014

A.-Q. Ma, M.-X. Yu, L.-G. Zhu

Page range: 63-64

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C 20 H 20 CuN 2 O 5 , monoclinic, P 12 1 / c 1 (no. 14), a = 8.965(3) Å, b = 19.797(7) Å, c = 10.440(4) Å, β = 101.780(6)°, V = 1813.9 Å 3 , Z = 4, R gt (F) = 0.054, wR ref (F 2 ) = 0.109, T = 293 K.
Open Access
Crystal structure of tetraaqua(4,4′-bipyridine-N,N′)copper(II) fumarate tetrahydrate, Cu(H₂O)₄(C₁₀H₈N₂)(C₄H₂O₄) · 4H₂O

February 11, 2014

E.-B. Ying, Y.-Q. Zheng, Q.-Q. Zhou

Page range: 65-66

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C 14 H 26 CuN 2 O 12 , monoclinic, C 12/ c 1 (no. 15), a = 16.631(3) Å, b = 11.155(2) Å, c = 13.096(3) Å, β = 125.08(3)°, V = 1988.3 Å 3 , Z = 4, R gt (F) = 0.038, wR ref (F 2 ) = 0.094, T = 293 K.
Open Access
Crystal structure of 2-(2,3-dimethylphenylamino)pyridine, C₁₃H₁₄N₂

February 11, 2014

M. Polamo, M. Talja

Page range: 67-68

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C 13 H 14 N 2 , monoclinic, P 12 1 / n 1 (no. 14), a = 11.304(8) Å, b = 7.775(8) Å, c = 13.451(9) Å, β = 113.98(5)°, V = 1080.2 Å 3 , Z = 4, R gt (F) = 0.050, wR ref (F 2 ) = 0.112, T = 193 K.
Open Access
Crystal structure of 2-[(2-ethyl)phenylamino]pyridine, C₁₃H₁₄N₂

February 11, 2014

M. Talja, M. Polamo

Page range: 69-70

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C 13 H 14 N 2 , monoclinic, P 12 1 / c 1 (no. 14), a = 11.892(6) Å, b = 7.570(7) Å, c = 13.309(7) Å, β = 112.65(3)°, V = 1105.7 Å 3 , Z = 4, R gt (F) = 0.055, wR ref (F 2 ) = 0.151, T = 193 K.
Open Access
Crystal structure of (O-ethyldithiocarbonato)(triphenylphosphine)gold(I), (C₆H₅)₃PAu(S₂COC₄H₉)

February 11, 2014

S. Y. Ho, E. R. T. Tiekink

Page range: 71-72

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C 23 H 24 AuOPS 2 , monoclinic, C 12/ c 1 (no. 15), a = 23.581(1) Å, b = 13.7153(8) Å, c = 17.182(1) Å, β = 125.554(1)°, V = 4521.2 Å 3 , Z = 8, R gt (F) = 0.026, wR ref (F 2 ) = 0.062, T = 183 K.
Open Access
Crystal structure of (triphenylphosphine)(pyrrolinedithiocarbamato)- gold(I), (C₆H₅)₃PAu(S₂CNC₄H₈)

February 11, 2014

S. Y. Ho, E. R. T. Tiekink

Page range: 73-74

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C 23 H 23 AuNPS 2 , triclinic, P 1̅ (no. 2), a = 8.524(1) Å, b = 9.822(1) Å, c = 13.815(2) Å, α = 73.492(2)°, β = 86.641(2)°, γ = 88.638(2)°, V = 1107.1 Å 3 , Z = 2, R gt (F) = 0.036, wR ref (F 2 ) = 0.091, T = 183 K.

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