Information card for entry 7013565

Structure parameters

• Common name: Ti2(DHP)(OBut)2(OPri)4(Py)2
• Formula: C34 H46 N4 O8 Ti2
• Calculated formula: C34.04 N4 O8 Ti2
• Title of publication: 4,6-Dihydroxypyrimidine: a selective bridging ligand for controlled Group IV metal alkoxide structures
• Authors of publication: Boyle, Timothy J.; Rodriguez, Mark A.; Alam, Todd M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4598
• a: 9.6835 ± 0.0012 Å
• b: 16.271 ± 0.002 Å
• c: 27.414 ± 0.003 Å
• α: 90°
• β: 95.913 ± 0.003°
• γ: 90°
• Cell volume: 4296.4 ± 0.9 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.1823
• Residual factor for significantly intense reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.3545
• Weighted residual factors for all reflections included in the refinement: 0.3887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No