Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7116268
Preview
| Coordinates | 7116268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H60 B2 F48 P4 Zn |
|---|---|
| Calculated formula | C76 H60 B2 F48 P4 Zn |
| Title of publication | A solvated zinc analogue of the calomel-dication. |
| Authors of publication | Banh, Hung; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 11 |
| Pages of publication | 2170 - 2172 |
| a | 13.0001 ± 0.0004 Å |
| b | 13.4282 ± 0.0004 Å |
| c | 14.1449 ± 0.0005 Å |
| α | 102.57 ± 0.003° |
| β | 115.154 ± 0.003° |
| γ | 91.67 ± 0.003° |
| Cell volume | 2160.73 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116268.cif |
| 180276 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/62. |
7116268.cif |
| 130930 | 2015-02-04 | cif/ Updating files of 7116267, 7116268, 7116269 Original log message: Adding full bibliography for 7116267--7116269.cif. |
7116268.cif |
| 129364 | 2015-01-06 | cif/ Adding structures of 7116267, 7116268, 7116269 via cif-deposit CGI script. |
7116268.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.