Information card for entry 7023697

Structure parameters

• Formula: C4 H9 Cl4 Mo O3
• Calculated formula: C4 H9 Cl4 Mo O3
• SMILES: C[O]1CC[O](CCl)[Mo]1(Cl)(Cl)(Cl)=O
• 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: 13.339 ± 0.002 Å
• b: 6.5492 ± 0.0012 Å
• c: 12.36 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1079.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No