Information card for entry 4501783

Structure parameters

• Formula: C12 H16 Br2 Cd5 N28 O2
• Calculated formula: C12 H16 Br2 Cd5 N28 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: 8.0685 ± 0.0016 Å
• b: 8.311 ± 0.0017 Å
• c: 13.313 ± 0.003 Å
• α: 93.53 ± 0.03°
• β: 106.74 ± 0.03°
• γ: 109.18 ± 0.03°
• Cell volume: 795.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No