Information card for entry 7037601

Structure parameters

• Formula: C70.5 H78 F27 N12 Sm3
• Calculated formula: C70.5 H78 F27 N12 Sm3
• SMILES: c12c(c(cc(c1F)F)F)[F][Sm]1345([F]c6c(N3CC[N]4(C)C)c(F)c(F)cc6F)([F][Sm]3467([F]c8c(c(F)c(cc8F)F)N3CC[N]4(C)C)([F]c3c(N6CC[N]7(C)C)c(F)c(F)cc3F)[F][Sm]3467([F]c8c(c(F)c(cc8F)F)N3CC[N]4(C)C)([F]c3c(N6CC[N]7(C)C)c(F)c(F)cc3F)[F]5)N2CC[N]1(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.
• Authors of publication: Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1422 - 1435
• a: 22.323 ± 0.003 Å
• b: 22.323 ± 0.003 Å
• c: 53.058 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22897 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71196 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No