Information card for entry 7001546

Structure parameters

• Formula: C45.5 H45 N3 O4 Ti
• Calculated formula: C45.5 H42 N3 O4 Ti
• Title of publication: Titanium imido complexes utilizing orthometallated derivatized acetophenone and piperonal imine ligands: synthesis, isolation, and characterization
• Authors of publication: Beck, John F.; Baiz, Tamam I.; Neshat, Abdollah; Schmidt, Joseph A. R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 5001 - 5008
• a: 10.9994 ± 0.0011 Å
• b: 12.6959 ± 0.0012 Å
• c: 14.6241 ± 0.0014 Å
• α: 73.494 ± 0.002°
• β: 81.949 ± 0.002°
• γ: 88.826 ± 0.002°
• Cell volume: 1938.4 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1132
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No