Information card for entry 4305883

Structure parameters

• Formula: C26 H47 B Co N S3
• Calculated formula: C26 H47 B Co N S3
• SMILES: [Co]12([S](C[B](c3ccccc3)(C[S]1C(C)(C)C)C[S]2C(C)(C)C)C(C)(C)C)C#[N]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: 16.52 ± 0.002 Å
• b: 9.2768 ± 0.0013 Å
• c: 20.108 ± 0.003 Å
• α: 90°
• β: 105.256 ± 0.003°
• γ: 90°
• Cell volume: 2973 ± 0.7 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: 0.1082
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No