Information card for entry 4504785

Structure parameters

• Formula: C44 H30 Cl Mn N4 O5
• Calculated formula: C44 H30 Cl Mn N4 O5
• Title of publication: Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections
• Authors of publication: George, Sumod; Goldberg, Israel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 755
• a: 13.9892 ± 0.0005 Å
• b: 13.9892 ± 0.0005 Å
• c: 9.384 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1836.43 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No