Information card for entry 7028069

Structure parameters

• Formula: C3 H9.5 Br0.5 Cu N2 O3
• Calculated formula: C3 H7 Br0.5 Cu N2 O3
• Title of publication: Extended network via hydrogen bond linkages of zig-zag co-ordination chains [{Cu2(trans-oxen)(μ-OH)(μ-H2O)}n]n+ or [Cu2(trans-oxen)(μ-OCN)2]n [H2oxen = N,N′-bis(2-aminoethyl)oxamide]
• Authors of publication: Chen, Zhong-Ning; Zhang, Hua-Xin; Yu, Kai-Bei; Zheng, Kang-Cheng; Cai, Hu; Kang, Bei-Sheng
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 7
• Pages of publication: 1133
• a: 14.873 ± 0.002 Å
• b: 14.873 ± 0.002 Å
• c: 34.872 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6680.4 ± 1.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.082
• Goodness-of-fit parameter for all reflections: 0.909
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No