Information card for entry 4063301

Structure parameters

• Formula: C38 H40 Mo O3 P2 S3 W
• Calculated formula: C38 H40 Mo O3 P2 S3 W
• SMILES: [W]1234567([Mo]([S]1CC)([S]2CC)([P]3(c1ccccc1)c1ccccc1)([P](SCC)(c1ccccc1)c1ccccc1)(C#[O])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: 9.598 ± 0.002 Å
• b: 12.536 ± 0.004 Å
• c: 17.096 ± 0.005 Å
• α: 104.7 ± 0.02°
• β: 90.86 ± 0.02°
• γ: 106.21 ± 0.02°
• Cell volume: 1902.3 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No