Information card for entry 4115950

Structure parameters

• Formula: C41.125 H34.25 B Cl4.25 Co3 F4 N12
• Calculated formula: C41.13 H32.26 B Cl4.26 Co3 F4 N12
• Title of publication: A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4]
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 2272 - 2278
• a: 11.325 ± 0.001 Å
• b: 20.915 ± 0.002 Å
• c: 19.786 ± 0.001 Å
• α: 90°
• β: 92.951 ± 0.006°
• γ: 90°
• Cell volume: 4680.3 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• 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: 0.0846
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections: 0.1715
• Weighted residual factors for significantly intense reflections: 0.1541
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No