Information card for entry 7017085

Structure parameters

• Common name: (An2N{NMe}salan)Ti(OiPr)2
• Chemical name: [N,N'-Dimethyl-N,N'-bis-(2-oxido-5-(di-(4-methoxyphenyl)amino)benzyl)- ethylenediamine]titanium(IV) diisopropoxide
• Formula: C52 H62 N4 O8 Ti
• Calculated formula: C52 H62 N4 O8 Ti
• Title of publication: Redox-active tetrahydrosalen (salan) complexes of titanium.
• Authors of publication: Quiroz-Guzman, Mauricio; Oliver, Allen G.; Loza, Andrew J.; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11458 - 11468
• a: 11.6904 ± 0.0006 Å
• b: 14.3149 ± 0.0008 Å
• c: 15.9465 ± 0.0008 Å
• α: 66.28 ± 0.002°
• β: 87.702 ± 0.002°
• γ: 78.741 ± 0.002°
• Cell volume: 2393.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No