Information card for entry 4501786

Structure parameters

• Formula: C12 H16 Br2 Cd3 N16 O2
• Calculated formula: C12 H16 Br2 Cd3 N16 O2
• Title of publication: Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane
• Authors of publication: Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4370
• a: 14.3329 ± 0.0009 Å
• b: 9.8015 ± 0.0006 Å
• c: 16.5134 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2319.9 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No