Information card for entry 4072585

Structure parameters

• Formula: C41 H35 Mo2 P3 S10 W
• Calculated formula: C41 H35 Mo2 P3 S10 W
• SMILES: [W]12345678([Mo]9%10%11%12([Mo]%131(S2)(S9)([S]4%10)([S]=P(S%11)(c1ccccc1)c1ccccc1)[S]=P(S%13)(c1ccccc1)c1ccccc1)(S3)[S]=P(S%12)(c1ccccc1)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Formation of a Dithiophosphinate Ligand Ph2PS2by Sulfur Insertion into the Metal−Phosphido Bond on Heterobimetallic Phosphido-Bridged Complex Cp(CO)2W(μ-PPh2)Mo(CO)5: A Rare Example of a Neutral Six-Electron Mixed-Metal Cluster with a Mo2WS4Core
• Authors of publication: Hossain, Md. Munkir; Lin, Hsiu-Mei; Shyu, Shin-Guang
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 685
• a: 11.4373 ± 0.0002 Å
• b: 11.4761 ± 0.0002 Å
• c: 20.4699 ± 0.0004 Å
• α: 81.818 ± 0.001°
• β: 82.954 ± 0.001°
• γ: 75.159 ± 0.001°
• Cell volume: 2560.26 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No