Information card for entry 4319400

Structure parameters

• Formula: C43.55 H40.8 Cl2.3 Co3 N12 O0.85
• Calculated formula: C43.55 H40.8 Cl2.3 Co3 N12 O0.85
• Title of publication: Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1256 - 1264
• a: 15.9573 ± 0.0008 Å
• b: 15.8174 ± 0.0008 Å
• c: 17.0569 ± 0.0009 Å
• α: 90°
• β: 98.303 ± 0.001°
• γ: 90°
• Cell volume: 4260.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.0696
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No