Information card for entry 7701087

Structure parameters

• Formula: C62.5 H41 B2 Cl F30 N3 Na O5
• Calculated formula: C62.5 H41 B2 Cl F30 N3 Na O5
• SMILES: [B]([n]1ccn([B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)c2c(c(c(c(c2F)F)F)F)F)c1c1ccc(cc1)C(=[O][Na]([O]=C(C)C)([O]=C(C)C)([O]1CCCC1)[O]1CCCC1)N(C)C)(c1c(c(c(F)c(F)c1F)F)F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(F)c(F)c1F)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: 13.3526 ± 0.0011 Å
• b: 30.789 ± 0.002 Å
• c: 16.1477 ± 0.0013 Å
• α: 90°
• β: 93.24 ± 0.002°
• γ: 90°
• Cell volume: 6627.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.08 K
• Number of distinct elements: 8
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No