Information card for entry 7710263

Structure parameters

• Formula: C102 H100 B2 Cl2 Co2 N10 O2.42 S2
• Calculated formula: C102 H100 B2 Cl2 Co2 N10 O2.419 S2
• Title of publication: Probing the redox-conversion of Co(ii)-disulfide to Co(iii)-thiolate complexes: the effect of ligand-field strength
• Authors of publication: Marvelous, Christian; de Azevedo Santos, Lucas; Siegler, Maxime A.; Fonseca Guerra, Célia; Bouwman, Elisabeth
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.0139 ± 0.0007 Å
• b: 20.1121 ± 0.0007 Å
• c: 27.0156 ± 0.0013 Å
• α: 90°
• β: 108.171 ± 0.004°
• γ: 90°
• Cell volume: 9815.8 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.063
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No