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Information card for entry 7116567
Preview
| Coordinates | 7116567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H164 N4 Sm2 |
|---|---|
| Calculated formula | C92 H132 N4 Sm2 |
| SMILES | C(C)(C)([c]12[Sm]3456789%10([c]%11([cH]3[c]4([c]6([cH]5%11)C(C)(C)C)C(C)(C)C)C(C)(C)C)([cH]1[c]8([c]9([cH]2%10)C(C)(C)C)C(C)(C)C)C)[n]1C=C[C@@H](c2ccc3ccc[n]7c3c12)[C@H]1c2ccc3ccc[n]4c3c2N(C=C1)[Sm]123567894([c]4([cH]1[c]2([c]3([cH]54)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]6[c]7([c]8([cH]91)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium |
| Authors of publication | Nocton, Grégory; Ricard, Louis |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 17 |
| Pages of publication | 3578 - 3581 |
| a | 10.225 ± 0.001 Å |
| b | 12.304 ± 0.001 Å |
| c | 20.627 ± 0.001 Å |
| α | 87.677 ± 0.001° |
| β | 87.886 ± 0.001° |
| γ | 83.688 ± 0.001° |
| Cell volume | 2575.8 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1387 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210894 (current) | 2018-09-12 | cif/7/11/ Updating bibliography in entries 7116566-7116569, 7116695-7116698. Marking entries 7116695-7116698 as duplicates of entries 7116566-7116569. |
7116567.cif |
| 180279 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/65. |
7116567.cif |
| 131840 | 2015-02-13 | cif/ Adding structures of 7116566, 7116567, 7116568, 7116569 via cif-deposit CGI script. |
7116567.cif |
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Users of the data should acknowledge the original authors of the
structural data.