Information card for entry 7037602

Structure parameters

• Formula: C82 H92 D12 F10 N8 Sm2
• Calculated formula: C82 H92 D12 F10 N8 Sm2
• SMILES: c1(cccc(c1N1[Sm]234([F]c5c(N2CC[N]3(C)C)c(F)c(F)cc5F)([F][Sm]235([F]c6c(N3CC[N]5(C)C)c(F)c(F)cc6F)([F]4)N(C=[N]2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[N](=C1)c1c(cccc1C(C)C)C(C)C)C(C)C)C(C)C.c1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H].c1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H]
• 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: 14.519 ± 0.003 Å
• b: 13.306 ± 0.003 Å
• c: 20.545 ± 0.004 Å
• α: 90°
• β: 99.08 ± 0.03°
• γ: 90°
• Cell volume: 3919.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No