Information card for entry 4117020

Structure parameters

• Formula: C63 H66 Cl6 N4 O12 Zn
• Calculated formula: C62.992 H65.984 Cl6 N4 O11.998 Zn
• Title of publication: Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins
• Authors of publication: P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 8492 - 8502
• a: 10.212 ± 0.003 Å
• b: 12.365 ± 0.003 Å
• c: 14.628 ± 0.003 Å
• α: 99.71 ± 0.02°
• β: 108.52 ± 0.02°
• γ: 107.49 ± 0.02°
• Cell volume: 1597.6 ± 0.8 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.2187
• Weighted residual factors for significantly intense reflections: 0.1883
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No