Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4304772
Preview
| Coordinates | 4304772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [ReO(Et2tcbPhO)(gly)] |
|---|---|
| Chemical name | (N-(N",N"-diethylaminothiocarbonyl)-N'-(2-hydroxyphenyl) benzamidinato)(glycinato)oxorhenium(V) |
| Formula | C20 H23 N4 O4 Re S |
| Calculated formula | C20 H23 N4 O4 Re S |
| SMILES | [Re]123(SC(=NC(=[N]2c2ccccc2O1)c1ccccc1)N(CC)CC)(=O)OC(=O)C[NH2]3 |
| Title of publication | Rhenium and Technetium Complexes with Tridentate N-[(N",N"-Dialkylamino)(thiocarbonyl)]-N'-substituted Benzamidine Ligands |
| Authors of publication | Nguyen Hung Huy; Jacqueline Grewe; Jennifer Schroer; Bernd Kuhn; Ulrich Abram |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 5136 - 5144 |
| a | 13.5289 ± 0.001 Å |
| b | 14.4211 ± 0.001 Å |
| c | 10.8865 ± 0.001 Å |
| α | 90° |
| β | 91.109 ± 0.01° |
| γ | 90° |
| Cell volume | 2123.6 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0521 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
4304772.cif |
| 179085 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47. |
4304772.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4304772.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304772.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304772.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304772.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.