Information card for entry 4063293

Structure parameters

• Formula: C50 H50 Mo2 O8 P2 S4 W2
• Calculated formula: C50 H50 Mo2 O8 P2 S4 W2
• SMILES: [W]1234567([Mo]([S]1CC)([S]2CC)([P]3(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41
• 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: 9.9197 ± 0.0003 Å
• b: 18.2649 ± 0.0005 Å
• c: 29.1376 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5279.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No