Information card for entry 4081251

Structure parameters

• Common name: bis[(phenylethynyldimethylsilyl)benzene]chromium
• Chemical name: bis[dimethyl(eta6-phenyl)phenylethinylsilane]chromium(0)
• Formula: C32 H32 Cr Si2
• Calculated formula: C32 H32 Cr Si2
• SMILES: [cH]12[c]3([Cr]456789%10%111([cH]3[cH]4[cH]6[cH]28)[cH]1[cH]5[cH]7[cH]9[cH]%10[c]%111[Si](C)(C)C#Cc1ccccc1)[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: 8.3269 ± 0.0003 Å
• b: 18.2355 ± 0.0006 Å
• c: 8.9612 ± 0.0003 Å
• α: 90°
• β: 94.83 ± 0.001°
• γ: 90°
• Cell volume: 1355.88 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No