Information card for entry 4328422

Structure parameters

• Formula: C62 H82 Co N4 O6
• Calculated formula: C62 H82 Co N4 O6
• SMILES: O1c2c(C(C)(C)C)cc(C(C)(C)C)cc2[N]2=CC(=O)c3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4[n]3[Co]3412Oc1c([N]4=CC(=O)c2oc4c(C(C)(C)C)cc(C(C)(C)C)cc4[n]32)cc(C(C)(C)C)cc1C(C)(C)C
• 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: 10.4757 ± 0.0009 Å
• b: 10.87 ± 0.001 Å
• c: 27.854 ± 0.002 Å
• α: 83.04 ± 0.006°
• β: 80.938 ± 0.006°
• γ: 67.407 ± 0.008°
• Cell volume: 2885.4 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections: 0.2336
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9928
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No