Information card for entry 4350294

Structure parameters

• Formula: C56 H40 N4 Ni O3 P2
• Calculated formula: C56 H38 N4 Ni O3 P2
• Title of publication: Meso-porphyrinylphosphine oxides: mono- and bidentate ligands for supramolecular chemistry and the crystal structures of monomeric {[10,20-diphenylporphyrinatonickel(II)-5,15-diyl]-bis-[P(O)Ph(2)] and polymeric self-coordinated {[10,20-diphenylporphyrinatozinc(II)-5,15-diyl]-bis-[P(O)Ph(2)]}.
• Authors of publication: Atefi, Farzad; McMurtrie, John C.; Turner, Peter; Duriska, Martin; Arnold, Dennis P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6479 - 6489
• a: 20.2401 ± 0.0007 Å
• b: 18.7057 ± 0.0007 Å
• c: 16.0264 ± 0.0006 Å
• α: 90°
• β: 123.651 ± 0.002°
• γ: 90°
• Cell volume: 5050.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No