Information card for entry 2218080

Structure parameters

• Chemical name: (μ-4-Methylbenzenethiolato-κ^2^S:S)bis[carbonyl(η^5^- cyclopentadienyl)molybdenum(II)]
• Formula: C26 H24 Mo2 O2 S2
• Calculated formula: C26 H24 Mo2 O2 S2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]162345(C#[O])[S](c2ccc(cc2)C)[Mo]23456([cH]6[cH]2[cH]3[cH]4[cH]56)(C#[O])[S]1c1ccc(cc1)C
• Title of publication: (μ-4-Methylbenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[carbonyl(η^5^-cyclopentadienyl)molybdenum(II)]
• Authors of publication: Wong, Richard Chee Seng; Ooi, Mei Lee; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m695
• a: 13.245 ± 0.002 Å
• b: 10.135 ± 0.001 Å
• c: 18.042 ± 0.002 Å
• α: 90°
• β: 104.901 ± 0.002°
• γ: 90°
• Cell volume: 2340.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes