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Information card for entry 7037602
Preview
| Coordinates | 7037602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| 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. |
7037602.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. |
7037602.cif |
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Users of the data should acknowledge the original authors of the
structural data.