Information card for entry 7055770

Structure parameters

• Common name: HbimcaEt2HBF4
• Chemical name: 3,6-Di-tert-butyl-1,8-bis(3-ethylimidazolium)carbazole bis(tetrafluoroborate)
• Formula: C32 H43 B2 F8 N5 O0.74
• Calculated formula: C32 H43 B2 F8 N5 O0.743
• Title of publication: Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes
• Authors of publication: Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9160
• a: 13.948 ± 0.002 Å
• b: 11.4011 ± 0.0019 Å
• c: 43.494 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6916.5 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1001
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No