Information card for entry 7003111

Structure parameters

• Formula: C43 H103 N12 O6 Ti2
• Calculated formula: C43 H103 N12 O6 Ti2
• Title of publication: Synthesis and characterisation of new titanium amino-alkoxides: precursors for the formation of TiO2 materials
• Authors of publication: Hollingsworth, Nathan; Kanna, Miki; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Wongnawa, Sumpun
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 631 - 641
• a: 42.871 ± 0.0006 Å
• b: 42.871 ± 0.0006 Å
• c: 12.3339 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22668.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No