Information card for entry 7028245

Structure parameters

• Formula: C8 H16 Cl6 Mo2 O4
• Calculated formula: C8 H16 Cl6 Mo2 O4
• SMILES: C1CCC[O]1[Mo]1(=O)([Cl][Mo]([O]2CCCC2)(=O)([Cl]1)(Cl)Cl)(Cl)Cl
• Title of publication: The interaction of molybdenum pentachloride with O- and S-heterocycles.
• Authors of publication: Favero, Lucilla; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 495 - 504
• a: 6.8833 ± 0.0008 Å
• b: 7.8338 ± 0.0009 Å
• c: 8.594 ± 0.001 Å
• α: 70.366 ± 0.001°
• β: 86.657 ± 0.001°
• γ: 86.513 ± 0.001°
• Cell volume: 435.3 ± 0.09 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: 0.023
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No