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Information card for entry 7020931
Preview
| Coordinates | 7020931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9.6 Cu O5.8 |
|---|---|
| Calculated formula | C10 H8 Cu O5 |
| Title of publication | Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands |
| Authors of publication | Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 10 |
| Pages of publication | 3455 |
| a | 21.7696 ± 0.0013 Å |
| b | 21.7696 ± 0.0013 Å |
| c | 8.7212 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3579.4 ± 0.4 Å3 |
| Cell temperature | 122.3 ± 0.2 K |
| Ambient diffraction temperature | 122.3 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7020931.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 {}' |
7020931.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020931.cif |
| 73717 | 2013-02-21 | cif/ Adding structures of 7020931, 7020932, 7020933, 7020934, 7020935 via cif-deposit CGI script. |
7020931.cif |
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