Information card for entry 4501785

Structure parameters

• Formula: C12 H16 Cd3 Cl2 N16 O2
• Calculated formula: C12 H16 Cd3 Cl2 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: 14.2128 ± 0.0004 Å
• b: 9.8325 ± 0.0002 Å
• c: 16.3309 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2282.2 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0195
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No