Information card for entry 1546851

Structure parameters

• Formula: C16 H10 Cd N6 O7
• Calculated formula: C16 H10 Cd N6 O7
• 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: 17.3051 ± 0.0005 Å
• b: 8.1682 ± 0.0002 Å
• c: 12.9742 ± 0.0004 Å
• α: 90°
• β: 108.332 ± 0.003°
• γ: 90°
• Cell volume: 1740.85 ± 0.09 ų
• Cell temperature: 288.88 ± 0.16 K
• Ambient diffraction temperature: 288.88 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No