Information card for entry 4319412

Structure parameters

• Formula: C46 H44 Cl2 Co3 N12
• Calculated formula: C46 H32 Cl2 Co3 N12
• 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: 12.9685 ± 0.0008 Å
• b: 14.2468 ± 0.0009 Å
• c: 23.7039 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4379.5 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.1536
• Weighted residual factors for significantly intense reflections: 0.1493
• Goodness-of-fit parameter for all reflections: 1.206
• Goodness-of-fit parameter for significantly intense reflections: 1.273
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No