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Information card for entry 7037600
Preview
| Coordinates | 7037600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H33 F12 N6 Sm |
|---|---|
| Calculated formula | C30 H33 F12 N6 Sm |
| SMILES | [Sm]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 | 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 | 9.743 ± 0.0019 Å |
| b | 9.781 ± 0.002 Å |
| c | 17.828 ± 0.004 Å |
| α | 89.78 ± 0.03° |
| β | 75.07 ± 0.03° |
| γ | 81.69 ± 0.03° |
| Cell volume | 1623.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.7109 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7037600.cif |
| 176013 | 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. |
7037600.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. |
7037600.cif |
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Users of the data should acknowledge the original authors of the
structural data.