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Information card for entry 7112744
Preview
| Coordinates | 7112744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13.5 H14.5 Cl2 Co2.5 N4.5 O6.5 |
|---|---|
| Calculated formula | C13.5 H14.52 Cl2 Co2.5 N4.5 O6.51 |
| Title of publication | An unprecedented CoII cuboctahedron as the secondary building unit in a Co-based metal-organic framework |
| Authors of publication | Rebecca J. Holmberg; Marika Kay; Ilia Korobkov; Eugene Kadantsev; Peter G. Boyd; Tomoko Aharen; Serge Desgreniers; Tom K. Woo; Muralee Murugesu |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 5333 |
| a | 23.3565 ± 0.0006 Å |
| b | 23.3565 ± 0.0006 Å |
| c | 23.3565 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12741.6 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 196 |
| Hermann-Mauguin space group symbol | F 2 3 |
| Hall space group symbol | F 2 2 3 |
| Residual factor for all reflections | 0.0632 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7112744.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 {}' |
7112744.cif |
| 112058 | 2014-04-29 | cif/ Adding structures of 7112744 via cif-deposit CGI script. |
7112744.cif |
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Users of the data should acknowledge the original authors of the
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