Information card for entry 4102152

Structure parameters

• Formula: C102 H194 Cu3 N16 O57
• Calculated formula: C54 H24 Cu3 O15
• Title of publication: Metal-Organic Polyhedral Frameworks: High H2 Adsorption Capacities and Neutron Powder Diffraction Studies
• Authors of publication: Yong Yan; Irvin Telepeni; Sihai Yang; Xiang Lin; Winfried Kockelmann; Anne Dailly; Alexander J. Blake; William Lewis; Gavin S. Walker; David R. Allan; Sarah A. Barnett; Neil R. Champness; Martin Schröder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4092 - 4094
• a: 51.67 ± 0.006 Å
• b: 51.67 ± 0.006 Å
• c: 51.67 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 137948 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.297
• Weighted residual factors for all reflections included in the refinement: 0.308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No