Information card for entry 7043065

Structure parameters

• Formula: C45 H57 Cl6 Cr0.75 N3 O3 Si1.5
• Calculated formula: C45 H57 Cl6 Cr0.75 N3 O3 Si1.5
• Title of publication: Normal-to-Abnormal Rearrangement of an N-Heterocyclic Carbene with a Silylene Transition Metal Complex
• Authors of publication: Ghadwal, Rajendra S.; Rottschaefer, Dennis; Andrada, Diego Marcelo; Frenking, G.; Schürmann, Christian J.; Stammler, Georg
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.434 ± 0.002 Å
• b: 48.155 ± 0.004 Å
• c: 16.728 ± 0.002 Å
• α: 90°
• β: 105.65 ± 0.03°
• γ: 90°
• Cell volume: 9645 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No