Information card for entry 7013564

Structure parameters

• Common name: Ti2(DHP)(OPri)4.5(OBut)1.5(Py)2
• Formula: C32 H56 N4 O8 Ti2
• Calculated formula: C32.03 H11 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: 9.5723 ± 0.0012 Å
• b: 18.416 ± 0.002 Å
• c: 24.619 ± 0.003 Å
• α: 90°
• β: 101.2 ± 0.003°
• γ: 90°
• Cell volume: 4257.3 ± 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: 0.1462
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2657
• Weighted residual factors for all reflections included in the refinement: 0.3076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No