Information card for entry 4113507

Structure parameters

• Formula: C28 H31 Cl3 Co N O3 P2
• Calculated formula: C28 H31 Cl3 Co N O3 P2
• SMILES: [Co](P(Cl)N(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene
• Authors of publication: Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2404 - 2405
• a: 11.8269 ± 0.0008 Å
• b: 19.9881 ± 0.0014 Å
• c: 14.2144 ± 0.001 Å
• α: 90°
• β: 112.229 ± 0.001°
• γ: 90°
• Cell volume: 3110.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No