Information card for entry 4323167

Structure parameters

• Formula: C45 H65 Cu Li N4 O2
• Calculated formula: C51 H49 Cu Li N4 O2
• 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: 12.043 ± 0.003 Å
• b: 19.01 ± 0.005 Å
• c: 19.147 ± 0.002 Å
• α: 90 ± 0°
• β: 100.66 ± 0.01°
• γ: 90 ± 0°
• Cell volume: 4307.8 ± 1.6 ų
• Cell temperature: 25 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.2184
• Weighted residual factors for significantly intense reflections: 0.1603
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No