Information card for entry 4320276

Structure parameters

• Formula: C76 H118 Cl12 N2 O18 S6 W6
• Calculated formula: C76 H118 Cl12 N2 O18 S6 W6
• SMILES: [W]1234567([W]89%10%11%12%13([W]%14%15%16%17%18%19([W]%20%21%22%23%241([W]28%14([W]39%15%20([Cl]4%10)([Cl]%16%21)([Cl]%12%17)([Cl]7%23)OS(=O)(=O)c1ccc(cc1)C)([Cl]5%11)([Cl]6%22)([Cl]%13%18)([Cl]%19%24)OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C.ClCCl.ClCCl.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Preparation and Substitution Chemistry of [Bu4N]2[W6Cl8(p-OSO2C6H4CH3)6]. A Useful Precursor for Pseudohalide, Acetate, and Organometallic Complexes Containing the {W6Cl8}4+ Core
• Authors of publication: Charles S. Weinert; Nicholas Prokopuk; Stephanie M. Arendt; Charlotte L. Stern; Duward F. Shriver
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5162 - 5168
• a: 24.532 Å
• b: 15.8886 Å
• c: 25.3159 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9867.61 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Weighted residual factors for all reflections: 0.056
• Goodness-of-fit parameter for all reflections: 1.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No