Information card for entry 7700828

Structure parameters

• Formula: C70.23 H88.2 Co N4.11 O4
• Calculated formula: C70.228 H88.2013 Co N4.114 O4
• Title of publication: Stabilization of different redox levels of a tridentate benzoxazole amidophenoxide ligand when bound to Co(iii) or V(v).
• Authors of publication: Safaei, Elham; Balaghi, S. Esmael; Chiang, Linus; Clarke, Ryan M.; Martelino, Diego; Webb, Michael I.; Wong, Edwin W. Y.; Savard, Didier; Walsby, Charles J.; Storr, Tim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13326 - 13336
• a: 21.891 ± 0.0016 Å
• b: 24.2657 ± 0.0018 Å
• c: 24.907 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13230.6 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0679
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No