Information card for entry 4128789

Structure parameters

• Formula: C20 H48 Cl3 Cr Li5 O9 Si4
• Calculated formula: C20 H48 Cl3 Cr Li5 O9 Si4
• SMILES: [Cr]123[O]([Si](O[Si]([O]1([Li][O]3[Si](O[Si]([O]2[Li][O]1CCCC1)(C)C)(C)C)[Li][O]1CCCC1)(C)C)(C)C)[Li][O]1CCCC1.[Cl-].[Cl-].[Li+].[Cl-]
• Title of publication: Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.
• Authors of publication: Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 36
• Pages of publication: 14068 - 14072
• a: 11.1725 ± 0.0004 Å
• b: 17.4237 ± 0.0007 Å
• c: 18.9652 ± 0.0008 Å
• α: 90°
• β: 90.838 ± 0.001°
• γ: 90°
• Cell volume: 3691.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No