Information card for entry 4328421

Structure parameters

• Formula: C62 H82 N4 Ni O6
• Calculated formula: C62 H82 N4 Ni O6
• Title of publication: Versatile Chemical Transformations of Benzoxazole Based Ligands on Complexation with 3d-Metal Ions
• Authors of publication: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Jean Bernard Tommasino; Nans Roques; Dominique Luneau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2588 - 2596
• a: 13.2714 ± 0.0009 Å
• b: 14.8637 ± 0.0006 Å
• c: 17.3337 ± 0.0009 Å
• α: 90°
• β: 104.71 ± 0.006°
• γ: 90°
• Cell volume: 3307.2 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1788
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections: 0.1833
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9654
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No