Information card for entry 7113836

Structure parameters

• Formula: C47 H74 Cl2 N2 O5.5 Ti
• Calculated formula: C47 H70 Cl2 N2 O5.5 Ti
• Title of publication: Titanium N-heterocyclic carbene complexes incorporating an imidazolium-linked bis(phenol)Electronic supplementary information (ESI) available: full experimental, NMR and analytical data. See http://www.rsc.org/suppdata/cc/b3/b305745c/
• Authors of publication: Aihara, Hidenori; Matsuo, Tsukasa; Kawaguchi, Hiroyuki
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2204
• a: 16.5 ± 0.01 Å
• b: 16.089 ± 0.009 Å
• c: 18.5 ± 0.01 Å
• α: 90°
• β: 100.243 ± 0.009°
• γ: 90°
• Cell volume: 4833 ± 5 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No