Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113604
Preview
| Coordinates | 7113604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H11 I O5 Os |
|---|---|
| Calculated formula | C18 H11 I O5 Os |
| SMILES | [Os]1(I)([O]=C(c2ccccc2)C=C(O1)c1ccccc1)(C#[O])(C#[O])C#[O] |
| Title of publication | Synthesis and characterization of luminescent osmium(II) carbonyl complexes based on chelating dibenzoylmethanate and halide ligands |
| Authors of publication | Chen, Yao-Lun; Sinha, Chittaranjan; Chen, I-Chia; Liu, Kuan-Lin; Chi, Yun; Yu, Jen-Kan; Chou, Pi-Tai; Lu, Tian-Huey |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 24 |
| Pages of publication | 3046 - 3047 |
| a | 9.5934 ± 0.0006 Å |
| b | 10.4791 ± 0.0007 Å |
| c | 37.126 ± 0.002 Å |
| α | 90° |
| β | 93.863 ± 0.001° |
| γ | 90° |
| Cell volume | 3723.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0855 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103903 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210653 (current) | 2018-09-09 | cif/7/ Updating bibliography in entries 7103903, 7113604. Marking entry 7113604 as a duplicate of entry 7103903. |
7113604.cif |
| 180250 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36. |
7113604.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 {}' |
7113604.cif |
| 115156 | 2014-06-02 | cif/ Adding structures of 7113604 via cif-deposit CGI script. |
7113604.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.