Information card for entry 7706769

Structure parameters

• Chemical name: [MoOCl3(PhS(CH2)2SPh)]
• Formula: C14 H14 Cl3 Mo O S2
• Calculated formula: C14 H14 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: 19.6139 ± 0.0002 Å
• b: 6.8064 ± 0.0001 Å
• c: 12.9677 ± 0.0002 Å
• α: 90°
• β: 96.16 ± 0.001°
• γ: 90°
• Cell volume: 1721.19 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 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: 0.058
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.437
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No