Information card for entry 4503593

Structure parameters

• Formula: C32 H12 Cu4 N4 O20
• Calculated formula: C32 H12 Cu4 N4 O20
• 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: 45.571 ± 0.006 Å
• b: 45.571 ± 0.006 Å
• c: 20.27 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 36455 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1897
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No