Information card for entry 7017087

Structure parameters

• Common name: (Br{NMe}salan)Ti(OCH2C(CH3)2C(O)O) . 0.5 HOCH2C(CH3)2CO2H . 0.5 CHCl3
• Chemical name: [N,N'-Dimethyl-N,N'-bis-(2-oxido-5-bromobenzyl)ethylenediamine](2,2- dimethyl-3-oxidopropanoato)titanium(IV) hemi-hydroxypivalic acid hemi- chloroform solvate
• Formula: C26 H33.5 Br2 Cl1.5 N2 O6.5 Ti
• Calculated formula: C26 H33.5 Br2 Cl1.5 N2 O6.5 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: 19.9705 ± 0.0015 Å
• b: 21.278 ± 0.0016 Å
• c: 14.1667 ± 0.0011 Å
• α: 90°
• β: 98.6784 ± 0.0012°
• γ: 90°
• Cell volume: 5951 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0852
• 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: Yes
• Has Fobs: No