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Information card for entry 7016951
Preview
| Coordinates | 7016951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 Au Br I2 N2 |
|---|---|
| Calculated formula | C11 H12 Au Br I2 N2 |
| SMILES | [Au](I)(I)(Br)=C1N(C)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 | 8.437 ± 0.001 Å |
| b | 8.7674 ± 0.001 Å |
| c | 11.3565 ± 0.0014 Å |
| α | 94.813 ± 0.014° |
| β | 98.104 ± 0.014° |
| γ | 105.834 ± 0.013° |
| Cell volume | 793.47 ± 0.18 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 ± 1 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 | 0.0382 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.852 |
| 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. |
7016951.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7016951.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016951.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016951.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. |
7016951.cif |
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Users of the data should acknowledge the original authors of the
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