Information card for entry 2016618

Structure parameters

• Chemical name: 2,3,12,13-Tetrabromo-5,10,15,20-tetrakis(4-butoxyphenyl)porphyrin 1,2-dichloroethane solvate
• Formula: C62 H62 Br4 Cl2 N4 O4
• Calculated formula: C62 H62 Br4 Cl2 N4 O4
• Title of publication: 2,3,12,13-Tetrabromo-5,10,15,20-tetrakis(4-butoxyphenyl)porphyrin 1,2-dichloroethane solvate
• Authors of publication: Bhyrappa, P.; Arunkumar, C.; Varghese, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o276 - o278
• a: 18.8426 ± 0.0004 Å
• b: 17.1996 ± 0.0004 Å
• c: 18.0722 ± 0.0004 Å
• α: 90°
• β: 97.08 ± 0.001°
• γ: 90°
• Cell volume: 5812.3 ± 0.2 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes