Information card for entry 4503594

Structure parameters

• Formula: C31 H27 Cd2 N7 O13
• Calculated formula: C31 H27 Cd2 N7 O13
• Title of publication: Structure, Hydrogen Storage, and Luminescence Properties of Three 3D Metal−Organic Frameworks with NbO and PtS Topologies
• Authors of publication: Xue, Ming; Zhu, Guangshan; Li, Yangxue; Zhao, Xiaojun; Jin, Zhao; Kang, Enhua; Qiu, Shilun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2478
• a: 23.516 ± 0.0011 Å
• b: 15.1207 ± 0.0007 Å
• c: 12.8597 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4572.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No