Information card for entry 4068711

Structure parameters

• Formula: C34 H27 Cl3 N2 O3 Si
• Calculated formula: C34 H27 Cl3 N2 O3 Si
• SMILES: [Si]123(Oc4ccccc4CN2c2ccccc2[N]3=C(c2c(O1)cc(OC)cc2)c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Hypercoordinate Organosilicon Complexes of an ONN′O′ Chelating Ligand: Regio- and Diastereoselectivity of Rearrangement Reactions in Si−Salphen Systems
• Authors of publication: Lippe, Katrin; Gerlach, Daniela; Kroke, Edwin; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 621
• a: 10.7243 ± 0.0008 Å
• b: 11.4283 ± 0.0009 Å
• c: 13.9199 ± 0.001 Å
• α: 95.262 ± 0.004°
• β: 90.622 ± 0.004°
• γ: 116.653 ± 0.004°
• Cell volume: 1515.7 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No