Information card for entry 7213153

Structure parameters

• Formula: C24 H23 Cr O4 P Si
• Calculated formula: C24 H23 Cr O4 P Si
• SMILES: [Cr]12345([c]6([c]1([cH]2[cH]3[cH]4[cH]56)[Si](C)(C)C)P(=O)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: The asymmetric synthesis of phosphorus- and sulfur-containing tricarbonyl(η6-arene)chromium complexes using the chiral base approach
• Authors of publication: Ariffin, Azhar; Blake, Alexander J.; Ewin, Richard A.; Li, Wan-Sheung; Simpkins, Nigel S.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3177
• a: 12.69 ± 0.02 Å
• b: 12.69 ± 0.02 Å
• c: 29.55 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4759 ± 13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No