Information card for entry 2232958

Structure parameters

• Chemical name: 5,10,15,20-Tetrakis(1-methylpyridinium-4-yl)porphyrin tetraiodide tetrahydrate
• Formula: C44 H46 I4 N8 O4
• Calculated formula: C44 H38 I4 N8 O4
• Title of publication: 5,10,15,20-Tetrakis(1-methylpyridinium-4-yl)porphyrin tetraiodide tetrahydrate
• Authors of publication: Lourenço, Leandro M. O.; Fernandes, José A.; Neves, Maria G. P. M. S.; Cavaleiro, José A. S.; Tomé, João P. C.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3157 - o3158
• a: 24.3331 ± 0.0004 Å
• b: 6.5209 ± 0.0001 Å
• c: 30.5663 ± 0.0005 Å
• α: 90°
• β: 95.025 ± 0.001°
• γ: 90°
• Cell volume: 4831.43 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes