Information card for entry 7005199

Structure parameters

• Formula: C12 H24 Mo2 O8 S2
• Calculated formula: C12 H24 Mo2 O8 S2
• SMILES: O1[Mo]23(=O)([O]4CCC[S]5CCCO[Mo]45([O]2CCC[S]3CCC1)(=O)=O)=O
• Title of publication: Structural, electrochemical and oxygen atom transfer properties of a molybdenum selenoether complex [Mo2O4(OC3H6SeC3H6O)2] and its thioether analogue [Mo2O4(OC3H6SC3H6O)2].
• Authors of publication: Ma, Xiaoli; Schulzke, Carola; Schmidt, Hans-Georg; Noltemeyer, Mathias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 18
• Pages of publication: 1773 - 1780
• a: 9.4886 ± 0.0007 Å
• b: 8.7913 ± 0.0005 Å
• c: 11.1434 ± 0.0009 Å
• α: 90°
• β: 109.044 ± 0.006°
• γ: 90°
• Cell volume: 878.67 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No