Information card for entry 4104476

Structure parameters

• Formula: C42.11 H35.7 Cl6.21 Co3 N12
• Calculated formula: C42.1055 H35.702 Cl6.2109 Co3 N12
• Title of publication: Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains
• Authors of publication: Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7580 - 7591
• a: 27.132 ± 0.003 Å
• b: 27.132 ± 0.003 Å
• c: 12.201 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8982 ± 2 ų
• Cell temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No