Information card for entry 4323169

Structure parameters

• Formula: C78 H108 N8 Ni2 O
• Calculated formula: C78 H108 N8 Ni2 O
• Title of publication: The Intra- and Intermolecular Oxidative Coupling of Ni(II)-meso-Octaethyl Mono(pyridine)-Tris(pyrrole) Complex Leading to CC Bonds: Pathways to Oligomeric Porphyrinogens
• Authors of publication: Raffaella Crescenzi; Euro Solari; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6044 - 6051
• a: 15.999 ± 0.003 Å
• b: 16.855 ± 0.003 Å
• c: 27.157 ± 0.005 Å
• α: 90 ± 0°
• β: 106.02 ± 0.03°
• γ: 90 ± 0°
• Cell volume: 7039 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.0875
• Goodness-of-fit parameter for all reflections: 0.969
• Goodness-of-fit parameter for significantly intense reflections: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No