Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4304874
Preview
| Coordinates | 4304874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Au(C(NHCH3)2)2](AsF6).0.5CO(CH3)2 |
|---|---|
| Formula | C7.5 H19 As Au F6 N4 O0.5 |
| Calculated formula | C7.5 H19 As Au F6 N4 O0.5 |
| Title of publication | Blue or Green Glowing Crystals of the Cation [Au{C(NHMe)2}2]+. Structural Effects of Anions, Hydrogen Bonding, and Solvate Molecules on the Luminescence of a Two-Coordinate Gold(I) Carbene Complex |
| Authors of publication | Daniel Rios; David M. Pham; James C. Fettinger; Marilyn M. Olmstead; Alan L. Balch |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 3442 - 3451 |
| a | 15.6093 ± 0.0008 Å |
| b | 15.6093 ± 0.0008 Å |
| c | 6.4275 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1566.06 ± 0.17 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 136 |
| Hermann-Mauguin space group symbol | P 42/m n m |
| Hall space group symbol | -P 4n 2n |
| Residual factor for all reflections | 0.0218 |
| Residual factor for significantly intense reflections | 0.0168 |
| Weighted residual factors for significantly intense reflections | 0.0449 |
| Weighted residual factors for all reflections included in the refinement | 0.0483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.313 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190295 (current) | 2017-01-09 | cif/4/30/ (antanas@echidna.ibt.lt) Changing the _chemical_formula_sum data item value from 'C7.5 H19 A2 As F6 N4 O0.5' to 'C7.5 H19 As Au F6 N4 O0.5' in entry 4304874. |
4304874.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4304874.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304874.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304874.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304874.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.