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Information card for entry 7112280
Preview
| Coordinates | 7112280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H7 Cu N3 O5 |
|---|---|
| Calculated formula | C13 H7 Cu N3 O5 |
| Title of publication | "Click"-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture. |
| Authors of publication | Li, Pei-Zhou; Wang, Xiao-Jun; Zhang, Kang; Nalaparaju, Anjaiah; Zou, Ruyi; Zou, Ruqiang; Jiang, Jianwen; Zhao, Yanli |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 36 |
| Pages of publication | 4683 - 4685 |
| a | 24.9933 ± 0.0013 Å |
| b | 28.2078 ± 0.0012 Å |
| c | 38.8733 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 27406 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 69 |
| Hermann-Mauguin space group symbol | F m m m |
| Hall space group symbol | -F 2 2 |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1552 |
| Weighted residual factors for all reflections included in the refinement | 0.1659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180236 (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 7/11/22. |
7112280.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 {}' |
7112280.cif |
| 109258 | 2014-04-10 | cif/ Adding structures of 7112280, 7112281, 7112282 via cif-deposit CGI script. |
7112280.cif |
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Users of the data should acknowledge the original authors of the
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