Information card for entry 7218344

Structure parameters

• Chemical name: 5,10,15,20-tetra(4-hydroxyphenyl)-21,23H-porphyrin nitrobenzene hexasolvate
• Formula: C80 H60 N10 O16
• Calculated formula: C80 H60 N10 O16
• Title of publication: Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures
• Authors of publication: Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 10505
• a: 27.4518 ± 0.0011 Å
• b: 27.4518 ± 0.0011 Å
• c: 18.2099 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13723 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 103
• Hermann-Mauguin space group symbol: P 4 c c
• Hall space group symbol: P 4 -2c
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No