Information card for entry 2226990

Structure parameters

• Chemical name: 1,3-Bis(2,6-diisopropylphenyl)imidazolidinium tetraphenylborate dichloromethane disolvate
• Formula: C53 H63 B Cl4 N2
• Calculated formula: C53 H63 B Cl4 N2
• SMILES: C1=[N+](CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: 1,3-Bis(2,6-diisopropylphenyl)imidazolidinium tetraphenylborate dichloromethane disolvate
• Authors of publication: Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2090 - o2091
• a: 21.4648 ± 0.0014 Å
• b: 10.3964 ± 0.0007 Å
• c: 22.7524 ± 0.0015 Å
• α: 90°
• β: 93.76 ± 0.001°
• γ: 90°
• Cell volume: 5066.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.352
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes