Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016953
Preview
| Coordinates | 7016953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H32 Au Br N4 |
|---|---|
| Calculated formula | C34 H32 Au Br N4 |
| SMILES | [Au](=C1N(C=CN1Cc1ccccc1)Cc1ccccc1)=C1N(C=CN1Cc1ccccc1)Cc1ccccc1.[Br-] |
| 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 | 15.0297 ± 0.001 Å |
| b | 11.0439 ± 0.0009 Å |
| c | 22.6718 ± 0.0013 Å |
| α | 90° |
| β | 128.227 ± 0.003° |
| γ | 90° |
| Cell volume | 2956.2 ± 0.4 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0925 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.1822 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| 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. |
7016953.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016953.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016953.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. |
7016953.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.