Information card for entry 7043062

Structure parameters

• Formula: C32 H36 N2 O5 W
• Calculated formula: C32 H36 N2 O5 W
• SMILES: C1(N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 11.25 ± 0.002 Å
• b: 13.869 ± 0.002 Å
• c: 19.759 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3082.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0137
• Residual factor for significantly intense reflections: 0.0128
• Weighted residual factors for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No