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Information card for entry 4511052
Preview
| Coordinates | 4511052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H28 Cu7 N16 |
|---|---|
| Calculated formula | C46 H28 Cu7 N16 |
| Title of publication | Interpenetrating Metal−Organic Frameworks Assembled from Polypyridine Ligands and Cyanocuprate Catenations |
| Authors of publication | Liu, Can; Ding, You-Bang; Shi, Xu-Hua; Zhang, Dan; Hu, Mei-Hong; Yin, Ye-Gao; Li, Dan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 1275 |
| a | 7.1824 ± 0.0008 Å |
| b | 11.5203 ± 0.0012 Å |
| c | 14.1814 ± 0.0015 Å |
| α | 95.051 ± 0.002° |
| β | 99.992 ± 0.002° |
| γ | 102.446 ± 0.002° |
| Cell volume | 1118.8 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179657 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/10. |
4511052.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 {}' |
4511052.cif |
| 114678 | 2014-05-29 | cif/ Adding structures of 4511051, 4511052 via cif-deposit CGI script. |
4511052.cif |
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Users of the data should acknowledge the original authors of the
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