Information card for entry 7701092

Structure parameters

• Formula: C67 H45 B2 F36 N2 Na O5
• Calculated formula: C67 H45 B2 F36 N2 Na O5
• SMILES: [B](n1c([n]([B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(F)c(c2F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 15.937 ± 0.003 Å
• b: 25.254 ± 0.004 Å
• c: 18.608 ± 0.003 Å
• α: 90°
• β: 106.941 ± 0.003°
• γ: 90°
• Cell volume: 7164 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No