Information card for entry 4081247

Structure parameters

• Common name: (phenylethynyldimethylsilyl)benzenechromiumtricarbonyl
• Chemical name: tricarbonyl[dimethyl(eta6-phenyl)phenylethynylsilane]chromium(0)
• Formula: C19 H16 Cr O3 Si
• Calculated formula: C19 H16 Cr O3 Si
• SMILES: [Cr]12345([c]6([Si](C)(C)C#Cc7ccccc7)[cH]1[cH]5[cH]3[cH]4[cH]26)(C#[O])(C#[O])C#[O]
• 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: 6.4992 ± 0.0013 Å
• b: 11.707 ± 0.002 Å
• c: 12.543 ± 0.003 Å
• α: 100.5 ± 0.03°
• β: 102.43 ± 0.03°
• γ: 92.21 ± 0.03°
• Cell volume: 913.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No