Information card for entry 7015355

Structure parameters

• Formula: C23 H27 I2 N Si Ti
• Calculated formula: C23 H27 I2 N Si Ti
• SMILES: I[Ti]12345(I)N(c6c(cccc6)c6ccccc6)[Si]([c]63[c]2([c]5([c]4([c]61C)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: 15.316 ± 0.003 Å
• b: 7.7666 ± 0.0016 Å
• c: 21.15 ± 0.004 Å
• α: 90°
• β: 108.64 ± 0.03°
• γ: 90°
• Cell volume: 2383.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No