Information card for entry 7246985

Structure parameters

• Formula: C34 H60 Co F6 N6 O8 P
• Calculated formula: C31 H42 Co F6 N6 O2 P
• Title of publication: Valence tautomerism in a cobalt–dioxolene complex containing an imidazolic ancillary ligand
• Authors of publication: Moledo Vicente Guedes, Anderson; Sodré de Abreu, Leandro; Maldonado, Igor Antunes Vogel; Fernandes, William Silva; Cardozo, Thiago Messias; A. Allão Cassaro, Rafael; Scarpellini, Marciela; Poneti, Giordano
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 29
• Pages of publication: 20050 - 20057
• a: 12.945 ± 0.004 Å
• b: 15.221 ± 0.005 Å
• c: 22.683 ± 0.01 Å
• α: 90°
• β: 100.93 ± 0.02°
• γ: 90°
• Cell volume: 4388 ± 3 ų
• Cell temperature: 132.05 K
• Ambient diffraction temperature: 132.05 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.2878
• Weighted residual factors for all reflections included in the refinement: 0.3425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No