Information card for entry 4077389

Structure parameters

• Formula: C35 H36 Cl O5 P W2
• Calculated formula: C35 H36 Cl O5 P W2
• SMILES: [WH]12345678(Cl)([c]9([cH]1[c]2([cH]3[cH]49)C(C)(C)C)[P]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)[c]1([cH]8[cH]7[cH]6[cH]51)C(C)(C)C
• Title of publication: Regio- and Stereochemical Aspects of the Substitution Reaction between the Molybdenocene and Tungstenocene Dichlorides (η5-C5H4-R)2MCl2(R = CMe3, SiMe3; M = Mo, W) and Metallophosphide Anions [(CO)5M‘PPh2]Li (M‘ = Mo, W)
• Authors of publication: Comte, Virginie; Blacque, Olivier; Kubicki, Marek M.; Moïse, Claude
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 25
• Pages of publication: 5432
• a: 11.1552 ± 0.0011 Å
• b: 13.9878 ± 0.0016 Å
• c: 22.829 ± 0.002 Å
• α: 90°
• β: 92.403 ± 0.008°
• γ: 90°
• Cell volume: 3559 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No