Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003425
Preview
| Coordinates | 4003425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H62 Au6 Cu3 N22 O6 |
|---|---|
| Calculated formula | C62 H62 Au6 Cu3 N22 O6 |
| Title of publication | Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials |
| Authors of publication | Ovens, Jeffrey S.; Leznoff, Daniel B. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 1465 |
| a | 18.5292 ± 0.0003 Å |
| b | 18.5292 ± 0.0003 Å |
| c | 19.6529 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5843.47 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 180 |
| Hermann-Mauguin space group symbol | P 62 2 2 |
| Hall space group symbol | P 62 2 (0 0 4) |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239741 (current) | 2019-11-25 | cif/ Adding structures of 4003419, 4003420, 4003421, 4003422, 4003423, 4003424, 4003425 via cif-deposit CGI script. |
4003425.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.