Information card for entry 7208985

Structure parameters

• Formula: C20 H13 Cd N5 O4
• Calculated formula: C20 H13 Cd N5 O4
• Title of publication: Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages
• Authors of publication: Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 349
• a: 9.955 ± 0.006 Å
• b: 19.393 ± 0.011 Å
• c: 10.077 ± 0.006 Å
• α: 90°
• β: 108.59 ± 0.011°
• γ: 90°
• Cell volume: 1843.9 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0464
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No