Information card for entry 4315457

Structure parameters

• Formula: C87 H91 Mn3 N4 O16 S6
• Calculated formula: C87 H66 Mn3 N4 O16 S6
• Title of publication: Self-Assembly of Metal-Organic Supramolecules: From a Metallamacrocycle and a Metal-Organic Coordination Cage to 1D or 2D Coordination Polymers Based on Flexible Dicarboxylate Ligands
• Authors of publication: Fangna Dai; Jianmin Dou; Haiyan He; Xiaoliang Zhao; Daofeng Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4117 - 4124
• a: 12.3892 ± 0.0014 Å
• b: 27.469 ± 0.003 Å
• c: 30.401 ± 0.003 Å
• α: 90°
• β: 91.307 ± 0.007°
• γ: 90°
• Cell volume: 10343.3 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2293
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No