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Information card for entry 4338971
Preview
| Coordinates | 4338971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(hydrido(tris-(3,5-dimethylpyrazolyl)borato)samarium(III)fluorenone ketyl |
|---|---|
| Formula | C50 H60 B2 N12 O Sm |
| Calculated formula | C50 H60 B2 N12 O Sm |
| SMILES | [Sm]1234([O]=C7c8c(c9c7cccc9)cccc8)([n]7n(c(cc7C)C)[BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C.c1(ccccc1)C |
| Title of publication | Trapping of anionic organic radicals by (TpMe2)2Ln (Ln = Sm, Eu). |
| Authors of publication | Domingos, Angela; Lopes, Irene; Waerenborgh, João C; Marques, Noémia; Lin, G. Y.; Zhang, X. W.; Takats, Josef; McDonald, Robert; Hillier, Anna C.; Sella, Andrea; Elsegood, Mark R. J.; Day, Victor W. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 22 |
| Pages of publication | 9415 - 9424 |
| a | 17.784 ± 0.0011 Å |
| b | 12.648 ± 0.0012 Å |
| c | 22.108 ± 0.001 Å |
| α | 90 ± 0.001° |
| β | 92.542 ± 0.005° |
| γ | 90 ± 0.001° |
| Cell volume | 4967.9 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179492 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89. |
4338971.cif |
| 117036 | 2014-06-14 | cif/ Adding structures of 4338970, 4338971, 4338972, 4338973, 4338974, 4338975 via cif-deposit CGI script. |
4338971.cif |
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Users of the data should acknowledge the original authors of the
structural data.