Information card for entry 7032256

Structure parameters

• Formula: C60 H65 B F15 N2 Rh
• Calculated formula: C60 H65 B F15 N2 Rh
• SMILES: [Rh]123(=C4N(c5c(C(C)C)cccc5C(C)C)C(CN4c4c(cccc4C(C)C)C(C)C)C[B](c4c(F)c(F)c(F)c(c4F)F)(c4c(F)c(F)c(F)c(c4F)F)c4c(F)c(F)c(F)c(c4F)F)[CH]4=[CH]1CC[CH]2=[CH]3CC4.CCCCCC
• Title of publication: Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions.
• Authors of publication: Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15279 - 15282
• a: 10.3204 ± 0.0001 Å
• b: 23.3192 ± 0.0002 Å
• c: 23.4928 ± 0.0002 Å
• α: 90°
• β: 98.6503 ± 0.0008°
• γ: 90°
• Cell volume: 5589.54 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No