Information card for entry 1546849

Structure parameters

• Formula: C128 H80 Cu8 N48 O56
• Calculated formula: C128 H80 Cu8 N48 O56
• Title of publication: Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties
• Authors of publication: Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 39
• Pages of publication: 5864 - 5872
• a: 7.838 ± 0.003 Å
• b: 13.665 ± 0.008 Å
• c: 30.941 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3314 ± 2 ų
• Cell temperature: 289.73 ± 0.11 K
• Ambient diffraction temperature: 289.73 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2257
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No