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Information card for entry 7021439
Preview
| Coordinates | 7021439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H89 Au2 B18 Cl9 P6 |
|---|---|
| Calculated formula | C82 H87 Au2 B18 Cl9 P6 |
| SMILES | [Au]1([P]([C]234[BH]56[BH]78[BH]9%10[BH]%11%127[BH]7%139[BH]92([BH]235[BH]%11%139[BH]68%122)[C]4%107[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCC[P]([Au]1[P]([C]234[BH]56[BH]78[BH]9%10[BH]%11%127[BH]7%139[BH]92([BH]235[BH]68%11[BH]%12792)[C]4%10%13[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Influence of the group 11 metal on the emissive properties of complexes [M{(PR2)2C2B9H10}L]. |
| Authors of publication | Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Ospino, Isaura; Tapias, Jorge; Villacampa, M. Dolores; Visbal, Renso |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 23 |
| Pages of publication | 8298 - 8306 |
| a | 16.2394 ± 0.0017 Å |
| b | 17.7117 ± 0.0019 Å |
| c | 17.713 ± 0.0019 Å |
| α | 72.326 ± 0.002° |
| β | 69.982 ± 0.002° |
| γ | 80.111 ± 0.002° |
| Cell volume | 4547.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7021439.cif |
| 179919 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14. |
7021439.cif |
| 86941 | 2013-07-12 | cif/ Adding structures of 7021437, 7021438, 7021439 via cif-deposit CGI script. |
7021439.cif |
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Users of the data should acknowledge the original authors of the
structural data.