Information card for entry 2242001

Structure parameters

• Chemical name: Di-μ-bromido-2:3κ^4^<i>Br</i>:<i>Br</i>-bis{2-(2,2-dimethylpropanimidoyl)-<i>N</i>-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';4κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-tetra-μ-isopropanolato-1:2κ^4^<i>O</i>:<i>O</i>;3:4κ^4^<i>O</i>:<i>O</i>-diisopropanolato-1κ<i>O</i>,4κ<i>O</i>-2,3-dilithium-1,4-dititanium
• Formula: C97.5 H140 Br2 Li2 N6 O6 Ti2
• Calculated formula: C66 H106 Br2 Li2 N6 O6 Ti2
• Title of publication: Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex
• Authors of publication: Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 122 - 126
• a: 12.2546 ± 0.0003 Å
• b: 12.724 ± 0.0003 Å
• c: 15.9477 ± 0.0005 Å
• α: 75.8613 ± 0.0015°
• β: 68.0449 ± 0.0015°
• γ: 83.22 ± 0.0017°
• Cell volume: 2235.49 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes