Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4310720
Preview
| Coordinates | 4310720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(ethylenedithio)tetrathiafulvalenium bis(1,2,5-thiadizole-3,4-dithiol) Nickel (II) |
|---|---|
| Formula | C14 H8 N4 Ni S14 |
| Calculated formula | C14 H8 N4 Ni S14 |
| Title of publication | Synthesis, Crystal Structure, and Physical Properties of (BEDT-TTF)[Ni(tdas)~2~] (BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene; tdas = 1,2,5-Thiadiazole-3,4-dithiolate): First Monomeric [Ni(tdas)~2~]- Monoanion |
| Authors of publication | S. Curreli; P. Deplano; M. L. Mercuri; L. Pilia; A. Serpe; John A. Schlueter; Michael A. Whited; Urs Geiser; E. Coronado; C. J. Gómez-García; E. Canadell |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 2049 - 2056 |
| a | 17.2324 ± 0.0006 Å |
| b | 13.274 ± 0.0005 Å |
| c | 10.9467 ± 0.0004 Å |
| α | 90° |
| β | 96.974 ± 0.002° |
| γ | 90° |
| Cell volume | 2485.45 ± 0.16 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179146 (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 4/31/07. |
4310720.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310720.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310720.cif |
| 2209 | 2010-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4310720 via cif-deposit CGI script. |
4310720.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.