Information card for entry 4506769

Structure parameters

• Formula: C42 H31 Cd2 N9 O10
• Calculated formula: C42 H31 Cd2 N9 O10
• Title of publication: Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands
• Authors of publication: Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4911
• a: 9.9944 ± 0.0015 Å
• b: 17.032 ± 0.003 Å
• c: 14.414 ± 0.002 Å
• α: 90°
• β: 90.697 ± 0.003°
• γ: 90°
• Cell volume: 2453.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No