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Information card for entry 7026094
Preview
| Coordinates | 7026094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H16 Cl2 Co N4 |
|---|---|
| Calculated formula | C6 H16 Cl2 Co N4 |
| Title of publication | Coordination chemistry in the solid state: synthesis and interconversion of pyrazolium salts, pyrazole complexes, and pyrazolate MOFs. |
| Authors of publication | Adams, Christopher J.; Kurawa, Mukhtar A.; Orpen, A. Guy |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 30 |
| Pages of publication | 6974 - 6984 |
| a | 17.896 ± 0.004 Å |
| b | 3.6423 ± 0.0007 Å |
| c | 6.8331 ± 0.0014 Å |
| α | 90° |
| β | 93.99 ± 0.03° |
| γ | 90° |
| Cell volume | 444.32 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7026094.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 {}' |
7026094.cif |
| 93407 | 2014-01-13 | cif/ Adding structures of 7026092, 7026093, 7026094, 7026095, 7026096, 7026097, 7026098, 7026099, 7026100 via cif-deposit CGI script. |
7026094.cif |
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Users of the data should acknowledge the original authors of the
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