Information card for entry 4506468

Structure parameters

• Formula: C6 H7 Cd2 Cl2 N5 O2
• Calculated formula: C6 H7 Cd2 Cl2 N5 O2
• Title of publication: Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer
• Authors of publication: Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 3825
• a: 7.1323 ± 0.0008 Å
• b: 13.0072 ± 0.0015 Å
• c: 24.302 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2254.5 ± 0.5 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: 0.0202
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No