Information card for entry 4305880

Structure parameters

• Formula: C34 H51 B Co P S3
• Calculated formula: C34 H51 B Co P S3
• SMILES: [Co]12([P](C)(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: 13.644 ± 0.003 Å
• b: 15.072 ± 0.003 Å
• c: 17.226 ± 0.003 Å
• α: 88.543 ± 0.003°
• β: 86.444 ± 0.003°
• γ: 84.079 ± 0.003°
• Cell volume: 3516.1 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No