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Information card for entry 7212863
Preview
| Coordinates | 7212863.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 Cl4 Co0.07 N2 Zn0.93 |
|---|---|
| Calculated formula | C10 H10 Cl4 Co0.072 N2 Zn0.928 |
| Title of publication | Towards polymorphism control in coordination networks and metallo-organic salts |
| Authors of publication | Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 12 |
| Pages of publication | 4403 |
| a | 7.6596 ± 0.0001 Å |
| b | 19.7388 ± 0.0004 Å |
| c | 9.4616 ± 0.0002 Å |
| α | 90° |
| β | 109.062 ± 0.001° |
| γ | 90° |
| Cell volume | 1352.07 ± 0.04 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0216 |
| Weighted residual factors for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.0503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7212863.cif |
| 180459 | 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 7/21/28. |
7212863.cif |
| 93304 | 2014-01-12 | cif/ Adding structures of 7212861, 7212862, 7212863 via cif-deposit CGI script. |
7212863.cif |
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Users of the data should acknowledge the original authors of the
structural data.