Information card for entry 7122023

Structure parameters

• Formula: C22 H34 Cl Cr N3 O2
• Calculated formula: C22 H34 Cl Cr N3 O2
• Title of publication: The open d-shell enforces the active space in 3d metal catalysis: highly enantioselective chromium(ii) pincer catalysed hydrosilylation of ketones.
• Authors of publication: Schiwek, Christian H.; Vasilenko, Vladislav; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 66
• Pages of publication: 9139 - 9142
• a: 9.01882 ± 0.00013 Å
• b: 13.64803 ± 0.00016 Å
• c: 19.2371 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2367.88 ± 0.05 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No