Information card for entry 4073577

Structure parameters

• Formula: C16 H22 Cr Si2
• Calculated formula: C16 H22 Cr Si2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]7[Cr]89%10%11%121456([cH]1[cH]8[cH]%12[cH]%11[c]9([cH]%101)[Si](C)(C)[Si]3(C)C)[cH]27
• Title of publication: Transition-Metal-Catalyzed Bis-Silylation of Propyne by [2]Chromoarenophanes
• Authors of publication: Braunschweig, Holger; Kupfer, Thomas
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4634
• a: 13.2196 ± 0.0004 Å
• b: 11.844 ± 0.0004 Å
• c: 9.7441 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1525.66 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No