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Information card for entry 1507800
Preview
| Coordinates | 1507800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H24 O13 Zn4 |
|---|---|
| Calculated formula | C54 H24 O13 Zn4 |
| Title of publication | Hydrogen Storage in New Metal‒Organic Frameworks |
| Authors of publication | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2012 |
| Journal volume | 116 |
| Journal issue | 24 |
| Pages of publication | 13143 |
| a | 31.114 ± 0.002 Å |
| b | 31.114 ± 0.002 Å |
| c | 39.28 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 32932 ± 4 Å3 |
| Cell temperature | 258 ± 2 K |
| Ambient diffraction temperature | 258 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 153 |
| Hermann-Mauguin space group symbol | P 32 1 2 |
| Hall space group symbol | P 32 2 (0 0 2) |
| Residual factor for all reflections | 0.0978 |
| Residual factor for significantly intense reflections | 0.0782 |
| Weighted residual factors for significantly intense reflections | 0.2221 |
| Weighted residual factors for all reflections included in the refinement | 0.2338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507800.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 {}' |
1507800.cif |
| 113438 | 2014-05-12 | cif/ Updating files of 1507796, 1507797, 1507798, 1507799, 1507800 Original log message: Adding full bibliography for 1507796--1507800.cif. |
1507800.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507800.cif |
| 62282 | 2012-07-07 | cif/ Adding structures of 1507796, 1507797, 1507798, 1507799, 1507800 via cif-deposit CGI script. |
1507800.cif |
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