Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7008805
Preview
| Coordinates | 7008805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H44 N3 O4 S Tc |
|---|---|
| Calculated formula | C26 H39 N3 O4 S Tc |
| Title of publication | Synthesis and structural characterization of new oxorhenium and oxotechnetium complexes with XN2S-tetradentate semi-rigid ligands (X = O, S, N) |
| Authors of publication | Le Gal, Julien; Tisato, Francesco; Bandoli, Giuliano; Gressier, Marie; Jaud, Joël; Michaud, Sandra; Dartiguenave, Michèle; Benoist, Eric |
| Journal of publication | Dalton Transactions |
| Year of publication | 2005 |
| Journal issue | 23 |
| Pages of publication | 3800 |
| a | 9.114 ± 0.002 Å |
| b | 18.383 ± 0.004 Å |
| c | 17.36 ± 0.004 Å |
| α | 90° |
| β | 91.32 ± 0.03° |
| γ | 90° |
| Cell volume | 2907.8 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7008805.cif |
| 179792 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/88. |
7008805.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008805.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008805.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008805.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.