Information card for entry 4305877

Structure parameters

• Formula: C39 H53 B Co P S3
• Calculated formula: C39 H53 B Co P S3
• SMILES: [Co]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S](C[B](c3ccccc3)(C[S]1C(C)(C)C)C[S]2C(C)(C)C)C(C)(C)C
• Title of publication: Influence of Ligand Electronic Effects on the Structure of Monovalent Cobalt Complexes
• Authors of publication: Julie A. DuPont; Glenn P. A. Yap; Charles G. Riordan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10700 - 10707
• a: 10.3017 ± 0.0016 Å
• b: 23.003 ± 0.004 Å
• c: 15.793 ± 0.002 Å
• α: 90°
• β: 91.475 ± 0.003°
• γ: 90°
• Cell volume: 3741.2 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No