Information card for entry 7102488

Structure parameters

• Common name: (Hydroxy)(nitrilotris(4,6-di-tert -butyl-o- phenolate))titanium(IV).1.33 tetrahydrofuran . 0.5 benzene
• Formula: C53.33 H80.67 N O5.33 Ti
• Calculated formula: C53.34 H80.68 N O5.33 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: 27.7755 ± 0.0007 Å
• b: 27.7755 ± 0.0007 Å
• c: 35.2084 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23523.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections: 0.2351
• Weighted residual factors for significantly intense reflections: 0.2117
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No