Information card for entry 2211547

Structure parameters

• Common name: Bis(η^6^-trimethylsilylbenzene)chromium(0)
• Formula: C18 H28 Cr Si2
• Calculated formula: C18 H28 Cr Si2
• SMILES: [Cr]123456789%10([c]%11([cH]1[cH]2[cH]3[cH]4[cH]5%11)[Si](C)(C)C)[c]1([cH]%10[cH]9[cH]8[cH]7[cH]61)[Si](C)(C)C
• Title of publication: Bis(η^6^-trimethylsilylbenzene)chromium(0)
• Authors of publication: Braunschweig, Holger; Kupfer, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3502 - m3503
• a: 6.4586 ± 0.0002 Å
• b: 16.7064 ± 0.0006 Å
• c: 17.0965 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1844.71 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes