Information card for entry 2016925

Structure parameters

• Chemical name: 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin <i>N</i>,<i>N</i>'-dimethylformamide hexasolvate dihydrate
• Formula: C68 H88 N10 O12
• Calculated formula: C68 H88 N10 O12
• Title of publication: Hydrogen-bonded assemblies of 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin with dimethylformamide, dimethylacetamide and water
• Authors of publication: Lipstman, Sophia; Goldberg, Israel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o3 - o7
• a: 35.5243 ± 0.0008 Å
• b: 6.5265 ± 0.0002 Å
• c: 29.2172 ± 0.0009 Å
• α: 90°
• β: 102.271 ± 0.001°
• γ: 90°
• Cell volume: 6619.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes