Information card for entry 7701090

Structure parameters

• Formula: C104 H56 B4 F60 N4 Na4 O8
• Calculated formula: C104 H56 B4 F60 N4 Na4 O8
• SMILES: [Na]1234([F]c5c(c(F)c(F)c(F)c5F)[B]5([N]6=C([O]2[Na]2([F]c7c5c(F)c(F)c(F)c7F)([F]c5c(c(F)c(F)c(F)c5F)[B]([N]5=C([O]32)CCC5)(c2c([F]1)c(F)c(F)c(F)c2F)c1c(F)c(F)c(F)c(F)c1F)[O]1CCCC1)CCC6)c1c(F)c(F)c(F)c([F][Na]235([F]c6c(c(F)c(F)c(F)c6F)[B]6([N]7=C([O]3[Na]3([F]c8c6c(F)c(F)c(F)c8F)([F]c6c(c(F)c(F)c(F)c6F)[B]([N]6=C([O]53)CCC6)(c3c([F]2)c(F)c(F)c(F)c3F)c2c(F)c(F)c(F)c(F)c2F)[O]2CCCC2)CCC7)c2c(F)c(F)c(F)c([F]4)c2F)[O]2CCCC2)c1F)[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: 11.173 ± 0.003 Å
• b: 12.137 ± 0.003 Å
• c: 22.128 ± 0.005 Å
• α: 96.896 ± 0.004°
• β: 99.379 ± 0.005°
• γ: 114.259 ± 0.004°
• Cell volume: 2640.2 ± 1.1 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 107.92 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No