Information card for entry 4115403

Structure parameters

• Formula: C53 H50 B Co O P3
• Calculated formula: C53 H50 B Co O P3
• SMILES: [Co]12([P](C[B](c3ccccc3)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Oc1c(cccc1C)C
• Title of publication: Elucidation of a Low Spin Cobalt(II) System in a Distorted Tetrahedral Geometry
• Authors of publication: David M. Jenkins; Angel J. Di Bilio; Matthew J. Allen; Theodore A. Betley; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 15336 - 15350
• a: 17.2447 ± 0.0014 Å
• b: 16.484 ± 0.0013 Å
• c: 16.4939 ± 0.0013 Å
• α: 90°
• β: 109.181 ± 0.001°
• γ: 90°
• Cell volume: 4428.3 ± 0.6 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.661
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No