Information card for entry 4072584

Structure parameters

• Formula: C23 H21 Mo O5 P S6 W
• Calculated formula: C23 H21 Mo O5 P S6 W
• SMILES: [W]123456(S[Mo]7(S1)([S]=P(S7)(c1ccccc1)c1ccccc1)=O)(SC(C(=O)OC)=C(S3)C(=O)OC)[cH]1[cH]2[cH]6[cH]5[cH]41
• 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: 28.204 ± 0.006 Å
• b: 6.7865 ± 0.0014 Å
• c: 18.204 ± 0.004 Å
• α: 90°
• β: 120.183 ± 0.003°
• γ: 90°
• Cell volume: 3012 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1696
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No