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Information card for entry 4331222
Preview
| Coordinates | 4331222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H42 Dy2 F36 N6 O20 |
|---|---|
| Calculated formula | C54 H42 Dy2 F36 N6 O20 |
| Title of publication | A Family of Binuclear Dysprosium(III) Radical Compounds with Magnetic Relaxation in ON and OFF States |
| Authors of publication | Tian Han; Wei Shi; Xiao-Ping Zhang; Lei-Lei Li; Peng Cheng |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 13009 - 13016 |
| a | 13.2124 ± 0.0005 Å |
| b | 24.538 ± 0.0008 Å |
| c | 10.9894 ± 0.0004 Å |
| α | 90° |
| β | 90.84 ± 0.003° |
| γ | 90° |
| Cell volume | 3562.4 ± 0.2 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4331222.cif |
| 179415 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/12. |
4331222.cif |
| 80686 | 2013-04-08 | cif/ Adding structures of 4331222 via cif-deposit CGI script. |
4331222.cif |
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Users of the data should acknowledge the original authors of the
structural data.