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Information card for entry 7112954
Preview
| Coordinates | 7112954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H26 Dy2 F36 N6 O16 |
|---|---|
| Calculated formula | C42 H26 Dy2 F36 N6 O16 |
| Title of publication | Pyrazine-bridged Dy2 single-molecule magnet with a large anisotropic barrier. |
| Authors of publication | Ma, Yue; Xu, Gong-Feng; Yang, Xi; Li, Li-Cun; Tang, Jinkui; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 43 |
| Pages of publication | 8264 - 8266 |
| a | 11.088 ± 0.002 Å |
| b | 13.03 ± 0.003 Å |
| c | 13.387 ± 0.006 Å |
| α | 109.99 ± 0.04° |
| β | 114.2 ± 0.02° |
| γ | 94.85 ± 0.03° |
| Cell volume | 1599.9 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180243 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29. |
7112954.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 {}' |
7112954.cif |
| 112181 | 2014-04-30 | cif/ Adding structures of 7112954 via cif-deposit CGI script. |
7112954.cif |
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Users of the data should acknowledge the original authors of the
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