Information card for entry 7708749

Structure parameters

• Formula: C34 H28.23 Cl2 Co N2 O4.12
• Calculated formula: C34 H28.232 Cl2 Co N2 O4.116
• Title of publication: Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes
• Authors of publication: Nadurata, Vincent L.; Hay, Moya A.; Janetzki, Jett T.; Gransbury, Gemma K.; Boskovic, Colette
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 12.3235 ± 0.0001 Å
• b: 20.2915 ± 0.0002 Å
• c: 12.5239 ± 0.0001 Å
• α: 90°
• β: 100.652 ± 0.001°
• γ: 90°
• Cell volume: 3077.79 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No