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Information card for entry 7207319
Preview
| Coordinates | 7207319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H12 Cu N6 O6 |
|---|---|
| Calculated formula | C4 H12 Cu N6 O6 |
| Title of publication | The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n |
| Authors of publication | Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 5 |
| Pages of publication | 2074 |
| a | 9.0582 ± 0.0001 Å |
| b | 9.0582 ± 0.0001 Å |
| c | 12.566 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1031.05 ± 0.02 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 118 |
| Hermann-Mauguin space group symbol | P -4 n 2 |
| Hall space group symbol | P -4 -2n |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180404 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/73. |
7207319.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 {}' |
7207319.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207319.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207319.cif |
| 33590 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7207319, 7207320, 7207321, 7207322 via cif-deposit CGI script. |
7207319.cif |
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Users of the data should acknowledge the original authors of the
structural data.