Information card for entry 7207022

Structure parameters

• Formula: C13 H12 Cd N6 O3
• Calculated formula: C13 H10 Cd N6 O3
• Title of publication: Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties
• Authors of publication: Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 890
• a: 24.252 ± 0.003 Å
• b: 8.9154 ± 0.0011 Å
• c: 14.8686 ± 0.0018 Å
• α: 90°
• β: 109.953 ± 0.001°
• γ: 90°
• Cell volume: 3021.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No