Information card for entry 4063302

Structure parameters

• Formula: C44 H52 Mo O3 P2 S3 W
• Calculated formula: C44 H52 Mo O3 P2 S3 W
• SMILES: [W]1234567([Mo]([S]1CCCC)([S]2CCCC)([P]3(c1ccccc1)c1ccccc1)([P](SCCCC)(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: 12.4867 ± 0.0004 Å
• b: 17.7135 ± 0.0005 Å
• c: 19.7659 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4371.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No