Information card for entry 4072583

Structure parameters

• Formula: C16 H16 O5 S4 W2
• Calculated formula: C16 H16 O5 S4 W2
• SMILES: [W]123456(S[W]789%10(S2)(=O)[cH]2[cH]7[cH]%10[cH]9[cH]82)(SC(C(=O)OC)=C(S1)C(=O)OC)[cH]1[cH]4[cH]5[cH]6[cH]31
• 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: 6.7919 ± 0.0014 Å
• b: 23.052 ± 0.005 Å
• c: 25.445 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3983.8 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.2006
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No