Information card for entry 4319852

Structure parameters

• Formula: C48 H38 N4 Ni O2
• Calculated formula: C48 H37 N4 Ni O2
• Title of publication: Biladienones from the Photooxidation of ameso-gem-Disubstituted Phlorin: Crystal and Molecular Structures of the 3N + O Coordinated Nickel(II) and Copper(II) Complexes
• Authors of publication: Christophe Jeandon; Bénédicte Krattinger; Romain Ruppert; Henry J. Callot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3149 - 3153
• a: 41.726 ± 0.003 Å
• b: 9.1582 ± 0.0003 Å
• c: 20.275 ± 0.001 Å
• α: 90°
• β: 101.546 ± 0.005°
• γ: 90°
• Cell volume: 7591 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.276
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.422
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections: 12.264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.538
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No