Information card for entry 7028246

Structure parameters

• Formula: C10 H20 Cl4 Mo O2
• Calculated formula: C10 H20 Cl4 Mo O2
• SMILES: C1CCCC[O]1[Mo](Cl)(Cl)([O]1CCCCC1)(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: 34.221 ± 0.006 Å
• b: 7.4263 ± 0.0013 Å
• c: 12.199 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3100.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No