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Information card for entry 7016949
Preview
| Coordinates | 7016949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 Au Br N2 |
|---|---|
| Calculated formula | C17 H16 Au Br N2 |
| SMILES | [Au](Br)=C1N(Cc2ccccc2)C=CN1Cc1ccccc1 |
| Title of publication | Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes. |
| Authors of publication | Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 38 |
| Pages of publication | 9899 - 9910 |
| a | 12.961 ± 0.0012 Å |
| b | 12.961 ± 0.0012 Å |
| c | 19.4074 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3260.2 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179873 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/69. |
7016949.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016949.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016949.cif |
| 28121 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016948, 7016949, 7016950, 7016951, 7016952, 7016953, 7016954, 7016955, 7016956, 7016957, 7016958, 7016959, 7016960 via cif-deposit CGI script. |
7016949.cif |
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Users of the data should acknowledge the original authors of the
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