Information card for entry 7702459

Structure parameters

• Formula: C55.25 H53 Br2 Co3 N12
• Calculated formula: C55.25 H32 Br2 Co3 N12
• Title of publication: Structural and magnetic properties of Co3(dpa)4Br2 †
• Authors of publication: Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 386
• a: 16.835 ± 0.001 Å
• b: 18.06 ± 0.002 Å
• c: 19.243 ± 0.002 Å
• α: 81.636 ± 0.002°
• β: 82.881 ± 0.002°
• γ: 62.516 ± 0.001°
• Cell volume: 5124.4 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0876
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections: 0.1308
• Weighted residual factors for significantly intense reflections: 0.1158
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No