Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7221124
Preview
| Coordinates | 7221124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene chlorobenzene hemisolvate |
|---|---|
| Formula | C25 H12.5 Cl0.5 N4 O4 S4 |
| Calculated formula | C25 H12.5 Cl0.5 N4 O4 S4 |
| Title of publication | Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives |
| Authors of publication | Salmerón-Valverde, Amparo; Bernès, Sylvain |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 32 |
| Pages of publication | 6227 |
| a | 7.3769 ± 0.0011 Å |
| b | 9.3811 ± 0.0009 Å |
| c | 18.9293 ± 0.0019 Å |
| α | 81.218 ± 0.007° |
| β | 88.805 ± 0.01° |
| γ | 75.958 ± 0.01° |
| Cell volume | 1255.8 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7221124.cif |
| 153130 | 2015-08-08 | cif/ Updating files of 7221123, 7221124, 7221125, 7221126, 7221127, 7221128 Original log message: Adding full bibliography for 7221123--7221128.cif. |
7221124.cif |
| 141460 | 2015-07-09 | cif/ Adding structures of 7221123, 7221124, 7221125, 7221126, 7221127, 7221128 via cif-deposit CGI script. |
7221124.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.