Information card for entry 7019561

Structure parameters

• Common name: tetrakis(N,N-dimethyl-N'-(2,3,5,6- tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii) hexane solvate
• Chemical name: tetrakis(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii) hexane solvate
• Formula: C54 H70 F18 N8 Nd2
• Calculated formula: C48 H56 F18 N8 Nd2
• SMILES: [Nd]12345([F]c6c(N1CC[N]2(CC)CC)c(c(F)cc6F)F)([F][Nd]1267(N(c8c([F]7)c(F)cc(F)c8F)CC[N]1(CC)CC)([N](CCN2c1c([F]6)c(F)cc(F)c1F)(CC)CC)[F]5)N(c1c([F]4)c(F)cc(F)c1F)CC[N]3(CC)CC
• Title of publication: The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.
• Authors of publication: Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8624 - 8634
• a: 18.5793 ± 0.0005 Å
• b: 22.1566 ± 0.0006 Å
• c: 28.3427 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11667.4 ± 0.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No