Information card for entry 4063297

Structure parameters

• Formula: C27 H35 Mo O2 P S4 W
• Calculated formula: C27 H35 Mo O2 P S4 W
• SMILES: [W]1234567([Mo]([P]1(c1ccccc1)c1ccccc1)([S]2CC)([S]3CC)(SCC)(SCC)C#[O])(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]71
• 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: 9.1121 ± 0.0015 Å
• b: 18.788 ± 0.005 Å
• c: 18.277 ± 0.004 Å
• α: 90 ± 0.014°
• β: 102.191 ± 0.013°
• γ: 90 ± 0.012°
• Cell volume: 3058.4 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No