Information card for entry 7020909

Structure parameters

• Formula: C10 H20 Cl6 Mo2 O4
• Calculated formula: C10 H20 Cl6 Mo2 O4
• SMILES: C(CC)(CC)=[O][Mo]1(=O)([Cl][Mo](=O)([O]=C(CC)CC)([Cl]1)(Cl)Cl)(Cl)Cl
• Title of publication: The interaction of molybdenum pentachloride with carbonyl compounds.
• Authors of publication: Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2477 - 2487
• a: 6.95 ± 0.003 Å
• b: 8.79 ± 0.004 Å
• c: 9.222 ± 0.004 Å
• α: 91.046 ± 0.005°
• β: 107.069 ± 0.005°
• γ: 107.313 ± 0.005°
• Cell volume: 510.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No