Information card for entry 2240034

Structure parameters

• Chemical name: <i>meso</i>-Tetrakis(4-nitrophenyl)porphyrin nitrobenzene disolvate
• Formula: C56 H36 N10 O12
• Calculated formula: C56 H36 N10 O12
• Title of publication: Crystal structure of <i>meso</i>-tetrakis(4-nitrophenyl)porphyrin nitrobenzene disolvate
• Authors of publication: Seredyuk, Maksym; Gumienna‒Kontecka, Elzbieta; Brzuszkiewicz, Anna; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1147 - o1148
• a: 7.949 ± 0.004 Å
• b: 10.134 ± 0.005 Å
• c: 16.444 ± 0.008 Å
• α: 105.43 ± 0.05°
• β: 95.37 ± 0.04°
• γ: 102.17 ± 0.04°
• Cell volume: 1232.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2503
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes