Information card for entry 4504686

Structure parameters

• Formula: C72 H78 Cd3 N16 O22 S
• Calculated formula: C72 H78 Cd3 N16 O22 S
• Title of publication: Syntheses and Structures of Four d10Metal−Organic Frameworks Assembled with Aromatic Polycarboxylate and bix [bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]
• Authors of publication: Wen, Lili; Li, Yizhi; Lu, Zhenda; Lin, Jianguo; Duan, Chunying; Meng, Qingjin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 530
• a: 10.08 ± 0.002 Å
• b: 13.063 ± 0.003 Å
• c: 17.815 ± 0.004 Å
• α: 79.029 ± 0.004°
• β: 86.325 ± 0.004°
• γ: 78.211 ± 0.004°
• Cell volume: 2253.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No