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Information card for entry 7037601
Preview
| Coordinates | 7037601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176013 (current) | 2016-02-05 | cif/ Updating files of 7037593, 7037594, 7037595, 7037596, 7037597, 7037598, 7037599, 7037600, 7037601, 7037602, 7037603 Original log message: Adding full bibliography for 7037593--7037603.cif. |
7037601.cif |
| 170898 | 2015-12-09 | cif/ Adding structures of 7037593, 7037594, 7037595, 7037596, 7037597, 7037598, 7037599, 7037600, 7037601, 7037602, 7037603 via cif-deposit CGI script. |
7037601.cif |
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Users of the data should acknowledge the original authors of the
structural data.