Information card for entry 7023694

Structure parameters

• Formula: C3 H10 Cl4 Mo2 O5
• Calculated formula: C3 H10 Cl4 Mo2 O5
• SMILES: C[O]1[Mo]23(Cl)(Cl)([Mo]1(Cl)(Cl)(=O)([O]2C)[OH]3C)=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: 9.39 ± 0.003 Å
• b: 11.42 ± 0.003 Å
• c: 12.617 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1353 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No