Information card for entry 7037291

Structure parameters

• Formula: C23.5 H27 Cl3 Si3
• Calculated formula: C21 H21 Cl3 Si3
• SMILES: C1[Si](Cl)(C[Si](C[Si]1(c1ccccc1)Cl)(c1ccccc1)Cl)c1ccccc1
• Title of publication: Tridentate Lewis acids with phenyl substituted 1,3,5-trisilacyclohexane backbones.
• Authors of publication: Weisheim, Eugen; Bücker, Lisa; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 198 - 207
• a: 21.5592 ± 0.0002 Å
• b: 7.97338 ± 0.00008 Å
• c: 28.7174 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4936.51 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No