Information card for entry 7701100

Structure parameters

• Formula: C64 H43 B2 Cl2 F30 N2 Na O6
• Calculated formula: C64 H43 B2 Cl2 F30 N2 Na O6
• SMILES: [B](n1cc[n]([B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(F)c(c(c2F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)c1c1ccc(cc1)C(=[O][Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)OC)(c1c(F)c(F)c(F)c(F)c1F)(c1c(c(F)c(c(F)c1F)F)F)c1c(c(c(c(c1F)F)F)F)F.C(Cl)Cl
• Title of publication: Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.
• Authors of publication: Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14138 - 14155
• a: 12.2126 ± 0.0018 Å
• b: 16.759 ± 0.002 Å
• c: 17.209 ± 0.003 Å
• α: 90.069 ± 0.003°
• β: 104.596 ± 0.003°
• γ: 106.61 ± 0.003°
• Cell volume: 3256.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.2663
• Weighted residual factors for all reflections included in the refinement: 0.2963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No