Information card for entry 4072560

Structure parameters

• Formula: C24 H43 B Co S3
• Calculated formula: C24 H43 B Co S3
• SMILES: [Co]1234([S](C[B](c5ccccc5)(C[S]1C(C)(C)C)C[S]2C(C)(C)C)C(C)(C)C)[CH2]=[CH]3C4
• 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: 9.6191 ± 0.001 Å
• b: 22.827 ± 0.002 Å
• c: 12.4369 ± 0.0013 Å
• α: 90°
• β: 99.575 ± 0.002°
• γ: 90°
• Cell volume: 2692.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No