Information card for entry 7114474

Structure parameters

• Common name: Chromoum Complex
• Formula: C23 H22 Cr O4 Si
• Calculated formula: C23 H22 Cr O4 Si
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[cH]6[cH]1[c]12[Si](OC([c]31[cH]4[cH]56)(/C=C/c1ccccc1)CC=C)(C)C
• Title of publication: Cleavage of Si???Ar bond vs Si???Me bond: a remarkable counterion effect on reactivityElectronic supplementary information (ESI) available: spectroscopic data and experimental section. See http://www.rsc.org/suppdata/cc/b2/b205373j/
• Authors of publication: Tipparaju, Suresh Kumar; Mandal, Sunil K.; Sur, Surojit; Puranik, Vedavati G.; Sarkar, Amitabha
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1924
• a: 12.488 ± 0.0016 Å
• b: 9.103 ± 0.0009 Å
• c: 20.682 ± 0.003 Å
• α: 90 ± 0.011°
• β: 107.161 ± 0.011°
• γ: 90 ± 0.009°
• Cell volume: 2246.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No