Information card for entry 4063294

Structure parameters

• Formula: C31 H33 Mo O5 P S2 W
• Calculated formula: C31 H33 Mo O5 P S2 W
• SMILES: [W]1234567([Mo]([S]1CCC)([S]2CCC)([P]3(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41.c1cccO1
• Title of publication: Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5
• Authors of publication: Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 440 - 446
• a: 9.8739 ± 0.0017 Å
• b: 9.9752 ± 0.0017 Å
• c: 18.173 ± 0.005 Å
• α: 91.74 ± 0.017°
• β: 102.363 ± 0.019°
• γ: 107.076 ± 0.014°
• Cell volume: 1663 ± 0.6 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: 0.0609
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No