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Information card for entry 2103095
Preview
| Coordinates | 2103095.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | trans-bis(cyanamidonitrato-N:O)bis(imidazole-N3) copper(II) |
|---|---|
| Formula | C8 H8 Cu N10 O4 |
| Calculated formula | C8 H8 Cu0.5 N10 O4 |
| Title of publication | Nucleophilic addition reaction in coordinated non-linear pseudohalides : Experimental Charge Density Analysis in trans-bis(cyanamidonitrato-N:O) bis(imidazole-N^3^) copper(II) complex. |
| Authors of publication | Kožíšek, Jozef; Hansen, Niels, K.; Fuess, Hartmut |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | 463 - 470 |
| a | 7.1248 ± 0.0007 Å |
| b | 13.6 ± 0.003 Å |
| c | 6.7973 ± 0.0009 Å |
| α | 90° |
| β | 97.821 ± 0.011° |
| γ | 90° |
| Cell volume | 652.49 ± 0.16 Å3 |
| Cell temperature | 120 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0156 |
| Weighted residual factors for all reflections included in the refinement | 0.0166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.42 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2103095.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2103095.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 {}' |
2103095.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2103095.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2103095.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2103095.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2103095.cif |
| 361 | 2008-04-19 | Adding files from the Acta-Cryst-B-2002-03/ deposition. |
2103095.cif |
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Users of the data should acknowledge the original authors of the
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