Information card for entry 7032664

Structure parameters

• Formula: C4 H2 Cl12 Mo2 O6
• Calculated formula: C4 H2 Cl12 Mo2 O6
• SMILES: C(C(Cl)(Cl)Cl)(=[O][Mo]1(=O)([Cl][Mo](=O)([O]=C(C(Cl)(Cl)Cl)O)([Cl]1)(Cl)Cl)(Cl)Cl)O
• Title of publication: Oxido-molybdenum complexes obtained by Cl/O interchange between MoCl5 and carboxylic acids: a crystallographic, spectroscopic and computational study.
• Authors of publication: Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16416 - 16423
• a: 5.9376 ± 0.0017 Å
• b: 7.406 ± 0.002 Å
• c: 12.038 ± 0.004 Å
• α: 83.082 ± 0.003°
• β: 88.495 ± 0.003°
• γ: 75.691 ± 0.003°
• Cell volume: 509.2 ± 0.3 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: 0.0477
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No