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Information card for entry 7203334
Preview
| Coordinates | 7203334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C94 H82 Co2 N6 O10 |
|---|---|
| Calculated formula | C94 H82 Co2 N6 O10 |
| SMILES | c1(ccccc1)C1=CC2=[O][Co]3([n]4ccccc4)(O1)([n]1ccccc1)OC(=CC(=[O]3)c1ccccc1)c1cc(cc(C3=CC(c4ccccc4)=[O][Co]4([n]5ccccc5)([n]5ccccc5)(O3)OC(=CC(=[O]4)c3ccccc3)c3c(O)c2cc(C)c3)c1O)C.n1ccccc1.c1(ccccc1)C.n1ccccc1.c1(ccccc1)C |
| Title of publication | Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies |
| Authors of publication | Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2006 |
| Journal volume | 16 |
| Journal issue | 26 |
| Pages of publication | 2635 |
| a | 11.1277 ± 0.0009 Å |
| b | 11.9911 ± 0.0009 Å |
| c | 15.5385 ± 0.0012 Å |
| α | 88.681 ± 0.006° |
| β | 78.05 ± 0.006° |
| γ | 79.383 ± 0.006° |
| Cell volume | 1993.5 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7203334.cif |
| 180364 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33. |
7203334.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 {}' |
7203334.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203334.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203334.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203334.cif |
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Users of the data should acknowledge the original authors of the
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