Information card for entry 7023693

Structure parameters

• Formula: C4 H12 Cl4 Mo O2
• Calculated formula: C4 H12 Cl4 Mo O2
• SMILES: C[O](C)[Mo](Cl)([O](C)C)(Cl)(Cl)Cl
• Title of publication: The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.
• 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: 42
• Pages of publication: 15226 - 15234
• a: 7.5238 ± 0.0017 Å
• b: 11.9246 ± 0.0017 Å
• c: 12.347 ± 0.003 Å
• α: 90°
• β: 105.869 ± 0.003°
• γ: 90°
• Cell volume: 1065.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No