Information card for entry 4512405

Structure parameters

• Formula: C52 H41 Cd N4 O5
• Calculated formula: C52 H41 Cd N4 O5
• Title of publication: Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units
• Authors of publication: Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6607
• a: 8.8305 ± 0.0006 Å
• b: 19.9787 ± 0.0015 Å
• c: 25.7425 ± 0.0019 Å
• α: 90°
• β: 96.821 ± 0.001°
• γ: 90°
• Cell volume: 4509.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No