Information card for entry 7102490

Structure parameters

• Common name: (Methoxy)(nitrilotris(4,6-di-tert -butyl-o- phenolate))titanium(IV)
• Formula: C46 H69 N O4 Ti
• Calculated formula: C46 H69 N O4 Ti
• Title of publication: Remarkable thermodynamic stability toward hydrolysis of tripodal titanium alkoxides.
• Authors of publication: Ugrinova, Vesela; Ellis, Gregory A; Brown, Seth N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 468 - 469
• a: 13.7727 ± 0.0007 Å
• b: 11.7884 ± 0.0006 Å
• c: 26.8649 ± 0.0013 Å
• α: 90°
• β: 93.776 ± 0.001°
• γ: 90°
• Cell volume: 4352.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections: 0.1283
• Weighted residual factors for significantly intense reflections: 0.1268
• Goodness-of-fit parameter for all reflections: 1.17
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No