Information card for entry 7702452

Structure parameters

• Formula: C41 H34 Br2 Cl2 Co3 N12
• Calculated formula: C41 H34 Br2 Cl2 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: 12.829 ± 0.001 Å
• b: 13.935 ± 0.002 Å
• c: 11.158 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1994.7 ± 0.4 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 2 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections: 0.1799
• Weighted residual factors for significantly intense reflections: 0.177
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No