Information card for entry 4319411

Structure parameters

• Formula: C55.25 H53 Cl2 Co3 N12
• Calculated formula: C52 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: 17.056 ± 0.001 Å
• b: 18.25 ± 0.001 Å
• c: 19.297 ± 0.002 Å
• α: 80.266 ± 0.001°
• β: 80.797 ± 0.001°
• γ: 63.217 ± 0.001°
• Cell volume: 5261 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections: 0.1974
• Weighted residual factors for significantly intense reflections: 0.1745
• Goodness-of-fit parameter for all reflections: 1.154
• Goodness-of-fit parameter for significantly intense reflections: 1.425
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No