Information card for entry 4505944

Structure parameters

• Formula: C90 H102 Cd7 N16 O34
• Calculated formula: C90 H88 Cd7 N16 O34
• Title of publication: Two Cadmium-Cluster-Based Metal‒Organic Frameworks with Mixed Ligands of 1,2,3-Benzenetriazole (HBTA) and 1,4-Benzenedicarboxylic acid (H2BDC)
• Authors of publication: Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Liu, Hui-Jin; Zhong, Jin-Lian; Wang, Ke-Jun; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1992
• a: 25.9645 ± 0.0005 Å
• b: 22.234 ± 0.0004 Å
• c: 18.8042 ± 0.0003 Å
• α: 90°
• β: 92.098 ± 0.001°
• γ: 90°
• Cell volume: 10848.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No