Information card for entry 7218345

Structure parameters

• Chemical name: 5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatonickel(II) nitrobenzene hexasolvate
• Formula: C80 H58 N10 Ni O16
• Calculated formula: C80 H58 N10 Ni 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: 27.3385 ± 0.0007 Å
• b: 27.3385 ± 0.0007 Å
• c: 18.3255 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13696.4 ± 0.8 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 5
• 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: 0.1655
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No