Information card for entry 7015356

Structure parameters

• Formula: C25 H33 N Si Ti
• Calculated formula: C25 H33 N Si Ti
• SMILES: [Ti]12345(N(c6ccccc6c6ccccc6)[Si]([c]63[c]4([c]2([c]1([c]56C)C)C)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: 7.5742 ± 0.0015 Å
• b: 11.756 ± 0.002 Å
• c: 13.062 ± 0.003 Å
• α: 80.73 ± 0.03°
• β: 85.9 ± 0.03°
• γ: 83.85 ± 0.03°
• Cell volume: 1139.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2394
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.2902
• Weighted residual factors for all reflections included in the refinement: 0.3469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No