Information card for entry 7207025

Structure parameters

• Formula: C8 H6 Cd N9
• Calculated formula: C8 H6 Cd N9
• 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: 13.78 ± 0.002 Å
• b: 7.6575 ± 0.0013 Å
• c: 10.3601 ± 0.0018 Å
• α: 90°
• β: 101.124 ± 0.002°
• γ: 90°
• Cell volume: 1072.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No