Information card for entry 4330319

Structure parameters

• Formula: C52 H52 Cd2 N8 O8
• Calculated formula: C52 H52 Cd2 N8 O8
• Title of publication: Tuning Structural Topologies of Three Photoluminescent Metal-Organic Frameworks via Isomeric Biphenyldicarboxylates
• Authors of publication: Feng Guo; Fei Wang; Hui Yang; Xiuling Zhang; Jian Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9677 - 9682
• a: 19.344 ± 0.005 Å
• b: 16.594 ± 0.005 Å
• c: 15.392 ± 0.004 Å
• α: 90°
• β: 94.319 ± 0.004°
• γ: 90°
• Cell volume: 4927 ± 2 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: 0.1128
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No