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Information card for entry 8103069
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| Coordinates | 8103069.cif |
|---|
| Chemical name | bis(biimidazole-κ~2~N,N')bis(perchlorate-κO)-copper(II) N,N-dimethylformamide(1:1), [Cu(C~6~H~6~N~4~)~2~(ClO~4~)~2~].DMF |
|---|---|
| Formula | C18 H26 Cl2 Cu N10 O10 |
| Calculated formula | C18 H26 Cl2 Cu N10 O10 |
| Title of publication | Crystal structure of bis(biimidazole-κ2N,N')bis(perchlorato-κO)copper(II) — N,N-dimethylformamide (1:1), Cu(C6H6N4)2(ClO4)2 · C3H7NO |
| Authors of publication | Yuan-Yuan Zhang; Wei Yang; Qiong-Hua Jin; Hao Liu; Cun-Lin Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 1 |
| Pages of publication | 51 |
| a | 8.1744 ± 0.0004 Å |
| b | 15.4829 ± 0.0008 Å |
| c | 10.9577 ± 0.0006 Å |
| α | 90° |
| β | 93.683 ± 0.003° |
| γ | 90° |
| Cell volume | 1383.98 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1475 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MOKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103069.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 {}' |
8103069.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103069.cif |
| 28966 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103069 via cif-deposit CGI script. |
8103069.cif |
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Users of the data should acknowledge the original authors of the
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