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Information card for entry 7113068
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| Coordinates | 7113068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H5 Cu O5 |
|---|---|
| Calculated formula | C10 H5 Cu O5 |
| Title of publication | A NbO-type metal-organic framework derived from a polyyne-coupled di-isophthalate linker formed in situ. |
| Authors of publication | Zhao, Dan; Yuan, Daqiang; Yakovenko, Andrey; Zhou, Hong-Cai |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 23 |
| Pages of publication | 4196 - 4198 |
| a | 18.2386 ± 0.0008 Å |
| b | 18.2386 ± 0.0008 Å |
| c | 42.049 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 12113.5 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0975 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.2042 |
| Weighted residual factors for all reflections included in the refinement | 0.2162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180244 (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 7/11/30. |
7113068.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 {}' |
7113068.cif |
| 112237 | 2014-04-30 | cif/ Adding structures of 7113068 via cif-deposit CGI script. |
7113068.cif |
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Users of the data should acknowledge the original authors of the
structural data.