Information card for entry 7706762

Structure parameters

• Chemical name: [MoOCl2(SMe)2)(Cl)2]
• Formula: C4 H12 Cl6 Mo2 O2 S2
• Calculated formula: C4 H12 Cl6 Mo2 O2 S2
• Title of publication: Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.
• Authors of publication: Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4380 - 4389
• a: 7.8111 ± 0.0001 Å
• b: 9.5063 ± 0.0001 Å
• c: 11.2487 ± 0.0002 Å
• α: 90°
• β: 105.172 ± 0.001°
• γ: 90°
• Cell volume: 806.15 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0122
• Residual factor for significantly intense reflections: 0.0119
• Weighted residual factors for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections included in the refinement: 0.0277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No