Information card for entry 4321112

Structure parameters

• Formula: C50 H47 Co3 F12 N17 P2
• Calculated formula: C50 H32 Co3 F12 N17 P2
• Title of publication: New Linear Tricobalt Complex of Di(2-pyridyl)amide (dpa), [Co3(dpa)4(CH3CN)2][PF6]2
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3065 - 3070
• a: 12.498 ± 0.002 Å
• b: 12.5101 ± 0.0005 Å
• c: 19.913 ± 0.001 Å
• α: 99.072 ± 0.004°
• β: 104.152 ± 0.007°
• γ: 101.106 ± 0.007°
• Cell volume: 2893 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections: 0.1594
• Weighted residual factors for significantly intense reflections: 0.1522
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No