Information card for entry 4321113

Structure parameters

• Formula: C50 H61 Co3 F12 N15 O2 P2
• Calculated formula: C50 H32 Co3 F12 N15 O2 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: 11.7576 ± 0.0007 Å
• b: 21.9059 ± 0.0006 Å
• c: 12.0621 ± 0.0005 Å
• α: 90°
• β: 111.883 ± 0.003°
• γ: 90°
• Cell volume: 2882.9 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.1141
• Goodness-of-fit parameter for all reflections: 1.128
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No