Information card for entry 4108834

Structure parameters

• Formula: C54 H74 Co2 N24 O7
• Calculated formula: C54 H66 Co2 N24 O7
• Title of publication: Molecular Tectonics: Control of Reversible Water Release in Porous Charge-Assisted H-Bonded Networks
• Authors of publication: Pierre Dechambenoit; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17106 - 17113
• a: 7.0982 ± 0.0004 Å
• b: 12.3509 ± 0.0007 Å
• c: 17.8586 ± 0.001 Å
• α: 83.535 ± 0.002°
• β: 87.428 ± 0.001°
• γ: 83.967 ± 0.002°
• Cell volume: 1546.21 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No