Information card for entry 4119634

Structure parameters

• Formula: C109.59 H64 Cu9 N8 O35.85
• Calculated formula: C109.586 H64 Cu9 N8 O35.8532
• Title of publication: Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material
• Authors of publication: Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 5982 - 5985
• a: 10.658 ± 0.0007 Å
• b: 18.4613 ± 0.0012 Å
• c: 21.092 ± 0.0014 Å
• α: 89.068 ± 0.002°
• β: 88.119 ± 0.001°
• γ: 85.215 ± 0.002°
• Cell volume: 4133 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No