Information card for entry 7104225

Structure parameters

• Formula: C109 H189 Cu3 N15 O41 S8
• Calculated formula: C48 H24 Cu3 O15
• Title of publication: Exceptionally high H2 storage by a metal-organic polyhedral framework.
• Authors of publication: Yan, Yong; Lin, Xiang; Yang, Sihai; Blake, Alexander J; Dailly, Anne; Champness, Neil R; Hubberstey, Peter; Schröder, Martin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1025 - 1027
• a: 47.005 ± 0.003 Å
• b: 47.005 ± 0.003 Å
• c: 47.005 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 103856 ± 11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.6939 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No