Information card for entry 7043063

Structure parameters

• Formula: C44 H49 Cl N2 O5 W
• Calculated formula: C44 H49 Cl N2 O5 W
• SMILES: [W](Cl)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].n1(c[n+](cc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1.c1ccccc1
• 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: 10.587 ± 0.002 Å
• b: 19.36 ± 0.002 Å
• c: 21.345 ± 0.003 Å
• α: 90°
• β: 102.83 ± 0.02°
• γ: 90°
• Cell volume: 4265.7 ± 1.1 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No