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Information card for entry 7112274
Preview
| Coordinates | 7112274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H18 Cu3 N10 O15 |
|---|---|
| Calculated formula | C30 H12 Cu3 N10 O15 |
| Title of publication | An N-rich metal-organic framework with an rht topology: high CO2 and C2 hydrocarbons uptake and selective capture from CH4. |
| Authors of publication | Liu, Kang; Li, Baiyan; Li, Yi; Li, Xu; Yang, Fen; Zeng, Guang; Peng, Yu; Zhang, Zhijuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua; Song, Datong |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 39 |
| Pages of publication | 5031 - 5033 |
| a | 28.1527 ± 0.0016 Å |
| b | 28.1527 ± 0.0016 Å |
| c | 41.07 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 32551 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7112274.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 {}' |
7112274.cif |
| 111174 | 2014-04-21 | cif/ Updating files of 7112274 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-9336/cifs/7112274.cif. |
7112274.cif |
| 109254 | 2014-04-10 | cif/ Adding structures of 7112274 via cif-deposit CGI script. |
7112274.cif |
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Users of the data should acknowledge the original authors of the
structural data.