Information card for entry 7037438

Structure parameters

• Formula: C31 H43 Cl3 N2 O Si
• Calculated formula: C31 H43 Cl3 N2 O Si
• SMILES: [Si](Cl)(Cl)(Cl)C1N([C]N(C=1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O1CCCC1
• Title of publication: Abnormal carbene-silicon halide complexes.
• Authors of publication: Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5941 - 5944
• a: 17.5567 ± 0.001 Å
• b: 11.8858 ± 0.0007 Å
• c: 32.4529 ± 0.0018 Å
• α: 90°
• β: 96.671 ± 0.001°
• γ: 90°
• Cell volume: 6726.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No