Information card for entry 7108559

Structure parameters

• Formula: C12 H28 Cu3 N6 O17
• Calculated formula: C12 H6 Cu3 N6 O10
• Title of publication: An active-site-accessible porous metal-organic framework composed of triangular building units: preparation, catalytic activity and magnetic property
• Authors of publication: Shengqun Su; Yibo Zhang; Min Zhu; Xuezhi Song; Song Wang; Shuna Zhao; Shuyan Song; Xiangguang Yang; Hongjie Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11118
• a: 30.1702 ± 0.0011 Å
• b: 30.1702 ± 0.0011 Å
• c: 30.1702 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27462.2 ± 1.7 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 219
• Hermann-Mauguin space group symbol: F -4 3 c
• Hall space group symbol: F -4a 2 3
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No