Information card for entry 4322716

Structure parameters

• Formula: C30 H72 Cl8 O7 P8 W4
• Calculated formula: C30 H72 Cl8 O7 P8 W4
• SMILES: C(#[O])[W]12([P](CC[P]1(C)C)(C)C)([W](O[W](=O)(=O)[W]13(C#[O])([P](CC[P]1(C)C)(C)C)[P](CC[P]3(C)C)(C)C)(=O)=O)[P](CC[P]2(C)C)(C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Preparation and Characterization of (iPrO)4WW(η2-dmpe)2(CO), (η1-O2CH)(iPrO)4WW(η2-dmpe)2(H), [H(η2-dmpe)WWO2]2(μ-O), and W2(O)4(μ-O)[W(η2-dmpe)2CO]2 (dmpe = Bisdimethylphosphinomethane), Compounds with W-W Bonds between Metal Atoms in Greatly Differing Oxidation States
• Authors of publication: Malcolm H. Chisholm; Kirsten Folting; Keith S. Kramer; William E. Streib
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1549 - 1554
• a: 13.282 ± 0.002 Å
• b: 14.308 ± 0.003 Å
• c: 15.319 ± 0.003 Å
• α: 90°
• β: 97.88 ± 0.011°
• γ: 90°
• Cell volume: 2883.7 ± 0.9 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for all reflections included in the refinement: 0.0266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8656
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No