Information card for entry 4505991

Structure parameters

• Formula: C21 H16 Cd O6
• Calculated formula: C21 H16 Cd O6
• Title of publication: Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands
• Authors of publication: Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2397
• a: 12.701 ± 0.005 Å
• b: 7.34 ± 0.005 Å
• c: 39.243 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3658 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No