Information card for entry 4081250

Structure parameters

• Common name: (phenylethynyldimethylsilyl)benzenemolybdenumtricarbonyl
• Chemical name: tricarbonyl[dimethyl(eta6-phenyl)phenylethynylsilane]molybdenum(0)
• Formula: C19 H16 Mo O3 Si
• Calculated formula: C19 H16 Mo O3 Si
• SMILES: [Mo]12345(C#[O])(C#[O])(C#[O])[cH]6[cH]1[cH]2[cH]3[cH]4[c]56[Si](C)(C)C#Cc1ccccc1
• Title of publication: Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands
• Authors of publication: Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4531
• a: 10.8693 ± 0.0003 Å
• b: 13.4334 ± 0.0004 Å
• c: 25.0323 ± 0.0008 Å
• α: 75.765 ± 0.002°
• β: 89.536 ± 0.002°
• γ: 88.945 ± 0.002°
• Cell volume: 3542.16 ± 0.19 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No