Information card for entry 2203555

Structure parameters

• Chemical name: Di-μ-phenylmethanethiolato-μ-sulfido-bis[carbonyl(η^5^- cyclopentadienyl)molybdenum(III)]
• Formula: C26 H24 Mo2 O2 S3
• Calculated formula: C26 H24 Mo2 O2 S3
• SMILES: [Mo]123456([S]([Mo]789%10([S]1Cc1ccccc1)([S]2)([cH]1[cH]7[cH]8[cH]9[cH]%101)C#[O])Cc1ccccc1)([cH]1[cH]3[cH]4[cH]5[cH]61)C#[O]
• Title of publication: Di-μ-phenylmethanethiolato-μ-sulfido-bis[carbonyl(η^5^-cyclopentadienyl)molybdenum(III)]
• Authors of publication: Wong, Richard Chee Seng; Ooi, Mei Lee; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m690 - m692
• a: 11.325 ± 0.001 Å
• b: 16.104 ± 0.001 Å
• c: 22.723 ± 0.001 Å
• α: 74.15 ± 0.01°
• β: 86.1 ± 0.01°
• γ: 69.52 ± 0.01°
• Cell volume: 3732.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No