Information card for entry 4113508

Structure parameters

• Formula: C27 H29 Al Cl4 Co N O3 P2
• Calculated formula: C27 H29 Al Cl4 Co N O3 P2
• SMILES: [Co](=PN(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].[Al](Cl)(Cl)(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: 12.526 ± 0.0006 Å
• b: 12.8291 ± 0.0006 Å
• c: 20.4241 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3282.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No