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Information card for entry 7215266
Preview
| Coordinates | 7215266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H35 Co N6 O3 |
|---|---|
| Calculated formula | C37 H35 Co N6 O3 |
| SMILES | c1ccc2C(=c3ccc[n]3[Co]34(n12)([n]1cccc1=C(c1cccn31)c1ccncc1)[O]=C(C)C=C(C)O4)c1ccncc1.C1CCCO1 |
| Title of publication | Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers |
| Authors of publication | Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 4973 |
| a | 13.2927 ± 0.0015 Å |
| b | 14.5956 ± 0.0016 Å |
| c | 17.1232 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3322.2 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0735 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215266.cif |
| 180483 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/52. |
7215266.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 {}' |
7215266.cif |
| 116198 | 2014-06-07 | cif/ Updating files of 7215264, 7215265, 7215266, 7215267, 7215268, 7215269, 7215270, 7215271, 7215272, 7215273 Original log message: Adding full bibliography for 7215264--7215273.cif. |
7215266.cif |
| 111659 | 2014-04-25 | cif/ Adding structures of 7215264, 7215265, 7215266, 7215267, 7215268, 7215269, 7215270, 7215271, 7215272, 7215273 via cif-deposit CGI script. |
7215266.cif |
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Users of the data should acknowledge the original authors of the
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