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Information card for entry 7052253
Preview
| Coordinates | 7052253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H48 La2 N18 |
|---|---|
| Calculated formula | C60 H48 La2 N18 |
| SMILES | [La]12345678([N](c9[n]1cccc9)(c1[n]9cccc1)[La]19%10%11%12([N]3(c3[n]4cccc3)c3[n]1cccc3)([N]5(c1[n]6cccc1)c1[n]%10cccc1)([N]7(c1[n]8cccc1)c1[n]%11cccc1)N(c1[n]%12cccc1)c1ncccc1)N(c1[n]2cccc1)c1ncccc1 |
| Title of publication | A rare earth alloy as a synthetic reagent: contrasting homometallic rare earth and heterobimetallic outcomes |
| Authors of publication | Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Leary, Stuart G. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2006 |
| Journal volume | 30 |
| Journal issue | 4 |
| Pages of publication | 592 |
| a | 16.6833 ± 0.0002 Å |
| b | 16.9265 ± 0.0002 Å |
| c | 20.0193 ± 0.0002 Å |
| α | 90° |
| β | 106.219 ± 0.001° |
| γ | 90° |
| Cell volume | 5428.25 ± 0.11 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180076 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/22. |
7052253.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052253.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052253.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7052253.cif |
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Users of the data should acknowledge the original authors of the
structural data.