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Information card for entry 7116566
Preview
| Coordinates | 7116566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H76 N4 Sm2 |
|---|---|
| Calculated formula | C64 H76 N4 Sm2 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Sm]167892345([n]2cccc3ccc4c(N1C=C[C@H]4[C@@H]1c4ccc5ccc[n]%10c5c4N(C=C1)[Sm]145%11%12%13%14%15%10([c]%10([c]1([c]4([c]5([c]%11%10C)C)C)C)C)[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)c23)[c]1([c]9([c]8([c]7([c]61C)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 | 16.6036 ± 0.0003 Å |
| b | 17.8851 ± 0.0003 Å |
| c | 18.2024 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5405.33 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 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. |
7116566.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. |
7116566.cif |
| 131840 | 2015-02-13 | cif/ Adding structures of 7116566, 7116567, 7116568, 7116569 via cif-deposit CGI script. |
7116566.cif |
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Users of the data should acknowledge the original authors of the
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