Information card for entry 7012063

Structure parameters

• Common name: [Ti(py)2(NtBu)(OCHMes2)2]
• Formula: C52 H65 N3 O2 Ti
• Calculated formula: C52 H65 N3 O2 Ti
• Title of publication: Transition-metal imido-boroxide complexes: a structural and spectroscopic investigation of the influence of boron
• Authors of publication: Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4168
• a: 10.5789 ± 0.0001 Å
• b: 19.55 ± 0.0003 Å
• c: 22.5063 ± 0.0003 Å
• α: 82.37 ± 0.001°
• β: 89.957 ± 0.001°
• γ: 83.821 ± 0.001°
• Cell volume: 4586.25 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No