Information card for entry 4500304

Structure parameters

• Formula: C18 H15 Cd N4 O5
• Calculated formula: C18 H9 Cd N4 O5
• Title of publication: Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement
• Authors of publication: Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1159
• a: 10.3885 ± 0.0011 Å
• b: 16.1515 ± 0.0016 Å
• c: 11.3054 ± 0.0011 Å
• α: 90°
• β: 99.812 ± 0.002°
• γ: 90°
• Cell volume: 1869.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0634
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No