Information card for entry 7102489

Structure parameters

• Common name: mu-oxobis(nitrilotris(4,6-di-tert-butyl-o- phenolate))titanium(IV) tetrabenzene solvate
• Formula: C114 H156 N2 O7 Ti2
• Calculated formula: C114 H156 N2 O7 Ti2
• 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: 15.7339 ± 0.0007 Å
• b: 16.6517 ± 0.0008 Å
• c: 20.8769 ± 0.001 Å
• α: 78.589 ± 0.001°
• β: 88.783 ± 0.001°
• γ: 76.117 ± 0.001°
• Cell volume: 5203 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections: 0.2039
• Weighted residual factors for significantly intense reflections: 0.1932
• Goodness-of-fit parameter for all reflections: 1.307
• Goodness-of-fit parameter for significantly intense reflections: 1.399
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No