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Information card for entry 4341790
Preview
| Coordinates | 4341790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H18 Co N6 O7 |
|---|---|
| Calculated formula | C16 H18 Co N6 O7 |
| SMILES | [Co]123([O]=N(O1)=O)([O]=N(O2)=O)[n]1c(C(OC)(c2ccccc2)c2[n]3ccn2C)n(cc1)C |
| Title of publication | Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices. |
| Authors of publication | Victor, Eric; Kim, Sunghee; Lippard, Stephen J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141124151214003 |
| a | 15.327 ± 0.0006 Å |
| b | 10.6612 ± 0.0004 Å |
| c | 24.0172 ± 0.0009 Å |
| α | 90° |
| β | 101.175 ± 0.001° |
| γ | 90° |
| Cell volume | 3850.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.353 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341790.cif |
| 179520 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/17. |
4341790.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 {}' |
4341790.cif |
| 128217 | 2014-12-06 | cif/ Adding structures of 4341783, 4341784, 4341785, 4341786, 4341787, 4341788, 4341789, 4341790 via cif-deposit CGI script. |
4341790.cif |
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Users of the data should acknowledge the original authors of the
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