Information card for entry 4077391

Structure parameters

• Formula: C32 H36 Cl O4 P Si2 W2
• Calculated formula: C32 H35 Cl O4 P Si2 W2
• SMILES: [W]123456789([Cl][W]([P]([c]%101[cH]2[c]3([Si](C)(C)C)[cH]4[cH]5%10)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])[c]1([cH]6[cH]7[cH]8[cH]91)[Si](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: 11.649 ± 0.0014 Å
• b: 16.4077 ± 0.0016 Å
• c: 20.851 ± 0.003 Å
• α: 90°
• β: 92.402 ± 0.01°
• γ: 90°
• Cell volume: 3981.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2061
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No