Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7023169
Preview
| Coordinates | 7023169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 Br N2 O4 Re |
|---|---|
| Calculated formula | C15 H11 Br N2 O4 Re |
| Title of publication | The synthesis and pH-dependent behaviour of Re(CO)3 conjugates with diimine phenolic ligands. |
| Authors of publication | Chanawanno, Kullapa; Engle, James T.; Le, Kevin X.; Herrick, Richard S.; Ziegler, Christopher J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 37 |
| Pages of publication | 13679 - 13684 |
| a | 13.186 ± 0.003 Å |
| b | 8.966 ± 0.002 Å |
| c | 13.615 ± 0.003 Å |
| α | 90° |
| β | 100.26 ± 0.003° |
| γ | 90° |
| Cell volume | 1583.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179936 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/31. |
7023169.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7023169.cif |
| 90454 | 2013-11-17 | cif/ Adding structures of 7023165, 7023166, 7023167, 7023168, 7023169 via cif-deposit CGI script. |
7023169.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.