Information card for entry 2242000

Structure parameters

• Chemical name: Di-μ-bromido-μ-{2-(2,2-dimethylpropanimidoyl)-<i>N</i>-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-bis[(diethyl ether)lithium]
• Formula: C32 H53 Br2 Li2 N3 O2
• Calculated formula: C32 H53 Br2 Li2 N3 O2
• 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: 11.8301 ± 0.0007 Å
• b: 22.3946 ± 0.0013 Å
• c: 13.4254 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3556.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes