Information card for entry 4072559

Structure parameters

• Formula: C28 H45 B Co S3
• Calculated formula: C28 H45 B Co S3
• Title of publication: High-Spin Organocobalt(II) Complexes in a Thioether Coordination Environment
• Authors of publication: DuPont, Julie A.; Coxey, Michael B.; Schebler, Peter J.; Incarvito, Christopher D.; Dougherty, William G.; Yap, Glenn P. A.; Rheingold, Arnold L.; Riordan, Charles G.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 971
• a: 15.262 ± 0.004 Å
• b: 10.502 ± 0.002 Å
• c: 19.279 ± 0.004 Å
• α: 90°
• β: 105.982 ± 0.004°
• γ: 90°
• Cell volume: 2970.6 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No