Information card for entry 7706764

Structure parameters

• Chemical name: [MoOCl3(PrS(CH2)2SPr)]
• Formula: C8 H18 Cl3 Mo O S2
• Calculated formula: C8 H18 Cl3 Mo O 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: 12.4629 ± 0.0002 Å
• b: 13.7526 ± 0.0002 Å
• c: 17.5032 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3000 ± 0.12 ų
• Cell temperature: 112 ± 17 K
• Ambient diffraction temperature: 112 ± 17 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No