Information card for entry 4063304

Structure parameters

• Formula: C29 H33 Mo O2 P S2 W
• Calculated formula: C29 H33 Mo O2 P S2 W
• SMILES: [W]1234567([Mo]89%10([P]1(c1ccccc1)c1ccccc1)([S]2C)([S]3C)(C#[O])[CH]1CC[CH]8=[CH]9CC[CH]%10=1)(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: 9.721 ± 0.003 Å
• b: 11.854 ± 0.005 Å
• c: 12.338 ± 0.003 Å
• α: 83.09 ± 0.03°
• β: 84.05 ± 0.02°
• γ: 87.81 ± 0.03°
• Cell volume: 1403.4 ± 0.8 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: 0.021
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No