Information card for entry 4350293

Structure parameters

• Formula: C56 H41 N4 O3.5 P2 Zn
• Calculated formula: C56 H38 N4 O3.5 P2 Zn
• 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: 16.984 ± 0.003 Å
• b: 9.8207 ± 0.0014 Å
• c: 27.682 ± 0.005 Å
• α: 90°
• β: 95.812 ± 0.007°
• γ: 90°
• Cell volume: 4593.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.48595 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No