Information card for entry 7015354

Structure parameters

• Formula: C20 H29 I2 N Si Ti
• Calculated formula: C20 H29 I2 N Si Ti
• SMILES: I[Ti]12345(I)N(C(c6ccccc6)(C)C)[Si]([c]62[c]4([c]3([c]1([c]56C)C)C)C)(C)C
• Title of publication: Titanium "constrained geometry" complexes with pendant arene groups.
• Authors of publication: Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2861 - 2867
• a: 19.434 ± 0.004 Å
• b: 8.4193 ± 0.0017 Å
• c: 14.943 ± 0.003 Å
• α: 90°
• β: 111.49 ± 0.03°
• γ: 90°
• Cell volume: 2275 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No