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Information card for entry 7032095
Preview
| Coordinates | 7032095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 Au Cl N3 |
|---|---|
| Calculated formula | C19 H21 Au Cl N3 |
| SMILES | [Au](Cl)=C1N(N=C(c2ccccc2)N1c1ccc(C)cc1)C(C)(C)C |
| Title of publication | Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes. |
| Authors of publication | Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 41 |
| Pages of publication | 15465 - 15474 |
| a | 8.926 ± 0.0003 Å |
| b | 11.0071 ± 0.0006 Å |
| c | 11.018 ± 0.0008 Å |
| α | 62.047 ± 0.005° |
| β | 71.966 ± 0.006° |
| γ | 80.177 ± 0.005° |
| Cell volume | 908.82 ± 0.1 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0256 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180026 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/20. |
7032095.cif |
| 124802 | 2014-10-06 | cif/ Updating files of 7032090, 7032091, 7032092, 7032093, 7032094, 7032095, 7032096 Original log message: Adding full bibliography for 7032090--7032096.cif. |
7032095.cif |
| 122329 | 2014-08-22 | cif/ Adding structures of 7032090, 7032091, 7032092, 7032093, 7032094, 7032095, 7032096 via cif-deposit CGI script. |
7032095.cif |
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Users of the data should acknowledge the original authors of the
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