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Information card for entry 2300381
Preview
| Coordinates | 2300381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HKUST-1 |
|---|---|
| Formula | C33 H4 Cu2 O10 |
| Calculated formula | C33 H4 Cu2 O10 |
| Title of publication | Generation and applications of structure envelopes for porous metal‒organic frameworks |
| Authors of publication | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2013 |
| Journal volume | 46 |
| Journal issue | 2 |
| Pages of publication | 346 - 353 |
| a | 26.3167 ± 0.0011 Å |
| b | 26.3167 ± 0.0011 Å |
| c | 26.3167 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18226.1 ± 1.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor R(I) for significantly intense reflections | 0.0682 |
| Goodness-of-fit parameter for all reflections | 1.64 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.45875 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176809 (current) | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300381.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 {}' |
2300381.cif |
| 85356 | 2013-05-07 | cif/ Adding structures of 2300380, 2300381, 2300382 via cif-deposit CGI script. |
2300381.cif |
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Users of the data should acknowledge the original authors of the
structural data.