Information card for entry 7118066

Structure parameters

• Formula: C132 H234 F18 N8 Na O18 Sb3 Si2 U2
• Calculated formula: C132 H234 F18 N8 Na O18 Sb3 Si2 U2
• SMILES: C1C[N]23[U]456([N]1(Cc1c(c(C(C)(C)C)cc(c1)C(C)(C)C)O4)CC[N]5(CC2)Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O6)(=N[Si](C)(C)C)Oc1c(C3)cc(cc1C(C)(C)C)C(C)(C)C.[N]123[U]456(=N[Si](C)(C)C)(Oc7c(C2)cc(cc7C(C)(C)C)C(C)(C)C)[N](CC1)(CC[N]4(CC3)Cc1c(O6)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1c(O5)c(cc(c1)C(C)(C)C)C(C)(C)C.[F-][Sb](F)(F)(F)(F)F.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.O(C)CCOC.COCCOC.COCCOC.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Charge control of the inverse trans-influence
• Authors of publication: Henry S. La Pierre; Michael Rosenzweig; Boris Kosog; Christina Hauser; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16671
• a: 14.9276 ± 0.0014 Å
• b: 14.9276 ± 0.0014 Å
• c: 63.398 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12234 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No