Information card for entry 4323151

Structure parameters

• Formula: C34 H39 Cl7 N P S4 W2
• Calculated formula: C34 H39 Cl7 N P S4 W2
• SMILES: [W]123([W]([Cl]1)(Cl)(Cl)(Cl)(S12CCSCC1)S13CCSCC1)(Cl)(Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Syntheses, Crystal Structures, Spectroscopic Characterization, and Electrochemical Studies of the Ditungsten(III) Complexes Cl~3~W(μ-L)~3~WCl~3~ and [Cl~3~W(μ-L)~2~(μ-Cl)WCl~3~]^-^ (L = 1,4-Dithiane, 1,4-Thioxane, pms = Pentamethylene Sulfide). C-S Bond Cleavage of the Bridging Thioether(s) in Cl~3~W(μ-L)~3~WCl~3~
• Authors of publication: P. Michael Boorman; Naomi L. Langdon; Vivian J. Mozol; Masood Parvez; Glenn P. A. Yap
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6023 - 6029
• a: 9.704 ± 0.005 Å
• b: 28.241 ± 0.007 Å
• c: 15.48 ± 0.005 Å
• α: 90°
• β: 98.55 ± 0.04°
• γ: 90°
• Cell volume: 4195 ± 3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.0645
• Goodness-of-fit parameter for all reflections: 2.314
• Goodness-of-fit parameter for significantly intense reflections: 2.314
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No