Information card for entry 4077390

Structure parameters

• Formula: C34.5 H39 Cl O5.5 P Si2 W2
• Calculated formula: C34.5 H38 Cl O5.5 P Si2 W2
• SMILES: [W]12345678(Cl)([c]9([P]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(c%10ccccc%10)c%10ccccc%10)[cH]1[c]2([Si](C)(C)C)[cH]3[cH]49)[c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81.O=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: 15.6852 ± 0.0017 Å
• b: 16.668 ± 0.002 Å
• c: 17.305 ± 0.002 Å
• α: 85.825 ± 0.01°
• β: 71.238 ± 0.009°
• γ: 64.854 ± 0.009°
• Cell volume: 3867.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No