Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319916
Preview
| Coordinates | 4319916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Cu F6 N4 O6 S4 |
|---|---|
| Calculated formula | C16 H16 Cu F6 N4 O6 S4 |
| SMILES | [Cu]123[n]4ccsc4C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1scc[n]31.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].[Cu]123[n]4ccsc4C=[N]1[C@H]1CCCC[C@@H]1[N]2=Cc1scc[n]31.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-] |
| Title of publication | Electrochemical Assembling/Disassembling of Helicates with Hysteresis |
| Authors of publication | Valeria Amendola; Luigi Fabbrizzi; Luca Gianelli; Cristina Maggi; Carlo Mangano; Piersandro Pallavicini; Michele Zema |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 3579 - 3587 |
| a | 8.559 ± 0.008 Å |
| b | 11.145 ± 0.004 Å |
| c | 14.255 ± 0.006 Å |
| α | 94.54 ± 0.03° |
| β | 94.85 ± 0.08° |
| γ | 109.43 ± 0.07° |
| Cell volume | 1269.4 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1434 |
| Residual factor for significantly intense reflections | 0.0949 |
| Weighted residual factors for significantly intense reflections | 0.2889 |
| Weighted residual factors for all reflections included in the refinement | 0.3297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179279 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99. |
4319916.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319916.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319916.cif |
| 16721 | 2011-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4319916 via cif-deposit CGI script. |
4319916.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.