Information card for entry 7701103

Structure parameters

• Formula: C64 H46 B2 F30 N3 Na O4
• Calculated formula: C64 H46 B2 F30 N3 Na O4
• SMILES: c1c[n](c(c2ccc(cc2)C[N](C)(C)[Na]([O]2CCCC2)[O]2CCCC2)n1[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(c(F)c1F)F.C1OCCC1.O1CCCC1
• 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: 12.1872 ± 0.0017 Å
• b: 19 ± 0.003 Å
• c: 14.971 ± 0.002 Å
• α: 90°
• β: 111.618 ± 0.003°
• γ: 90°
• Cell volume: 3222.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No