Information card for entry 4111573

Structure parameters

• Common name: Co3(depa)3Cl3
• Formula: C42 H48 Cl3 Co3 N9
• Calculated formula: C42 H48 Cl3 Co3 N9
• Title of publication: Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments
• Authors of publication: John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4895 - 4902
• a: 10.3578 ± 0.0006 Å
• b: 10.6941 ± 0.0006 Å
• c: 20.4826 ± 0.0012 Å
• α: 85.299 ± 0.001°
• β: 85.028 ± 0.001°
• γ: 84.421 ± 0.001°
• Cell volume: 2243.4 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No