Information card for entry 7019559

Structure parameters

• Chemical name: tris(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine -F,N,N'/N,N)-neodymium(iii)
• Formula: C30 H33 F12 N6 Nd
• Calculated formula: C30 H33 F12 N6 Nd
• SMILES: [Nd]12345([F]c6c(N1CC[N]2(C)C)c(F)c(F)cc6F)(N(c1c([F]4)c(F)cc(F)c1F)CC[N]3(C)C)N(c1c(F)c(F)cc(F)c1F)CC[N]5(C)C
• 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: 9.7596 ± 0.0003 Å
• b: 9.7779 ± 0.0003 Å
• c: 17.8383 ± 0.0006 Å
• α: 89.367 ± 0.002°
• β: 75.192 ± 0.002°
• γ: 81.488 ± 0.002°
• Cell volume: 1626.98 ± 0.09 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: 0.0217
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No