Information card for entry 7019562

Structure parameters

• Common name: tetrakis(N,N-diethyl-N'-(2,3,5,6- tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii)
• Chemical name: tetrakis(N,N-diethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii)
• Formula: C48 H60 F18 N8 Nd2
• Calculated formula: C48 H60 F18 N8 Nd2
• SMILES: [Nd]12345([F][Nd]6789([F]1)(N(CC[N]6(CC)CC)c1c([F]8)c(F)cc(F)c1F)N(CC[N]7(CC)CC)c1c([F]9)c(F)cc(F)c1F)(N(CC[N]2(CC)CC)c1c([F]3)c(F)cc(F)c1F)N(CC[N]4(CC)CC)c1c([F]5)c(F)cc(F)c1F
• 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: 12.115 ± 0.002 Å
• b: 12.644 ± 0.003 Å
• c: 20.204 ± 0.004 Å
• α: 72.95 ± 0.03°
• β: 76.68 ± 0.03°
• γ: 68.6 ± 0.03°
• Cell volume: 2728.3 ± 1.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No