Information card for entry 2016058

Structure parameters

• Chemical name: 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid‒dimethyl sulfoxide (2/5)
• Formula: C51 H44 N5 O8.5 S2.5
• Calculated formula: C50 H41 N5 O8 S2
• Title of publication: Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates
• Authors of publication: Sankar Muniappan; Sophia Lipstman; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o395 - o399
• a: 6.5978 ± 0.0003 Å
• b: 29.2458 ± 0.0015 Å
• c: 28.663 ± 0.0013 Å
• α: 90°
• β: 90.521 ± 0.002°
• γ: 90°
• Cell volume: 5530.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes