Information card for entry 4067173

Structure parameters

• Formula: C33 H46 Mo O2 S3 Si2
• Calculated formula: C33 H46 Mo O2 S3 Si2
• SMILES: [Mo]123456(=S)(S[Si](OC(=O)C2(S1)[Si](C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Reactions of (Silyl)(silylene)tungsten and -molybdenum Complexes with Sulfur Reagents
• Authors of publication: Muraoka, Takako; Nakamura, Tomoko; Nakamura, Atsushi; Ueno, Keiji
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6624
• a: 8.6148 ± 0.0011 Å
• b: 12.2402 ± 0.0014 Å
• c: 17.782 ± 0.002 Å
• α: 72.646 ± 0.01°
• β: 84.658 ± 0.012°
• γ: 82.205 ± 0.012°
• Cell volume: 1770.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.1547
• Weighted residual factors for significantly intense reflections: 0.3787
• Weighted residual factors for all reflections included in the refinement: 0.4035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No