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Information card for entry 4511047
Preview
| Coordinates | 4511047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Cu2 N6 |
|---|---|
| Calculated formula | C16 H14 Cu2 N6 |
| Title of publication | New Copper Coordination Polymers Derived fromp- ando-BIMB via Different Reaction Approaches: Toward the Effects of Isomeric Ligands (BIMB = Bis-(imidazol-1-ylmethyl)benzene) |
| Authors of publication | Hu, Mei-Hong; Shen, Gui-Lan; Zhang, Jing-Xiang; Yin, Ye-Gao; Li, Dan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 4533 |
| a | 8.7996 ± 0.0012 Å |
| b | 15.35 ± 0.002 Å |
| c | 12.1775 ± 0.0016 Å |
| α | 90° |
| β | 94.833 ± 0.002° |
| γ | 90° |
| Cell volume | 1639 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0949 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
4511047.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 {}' |
4511047.cif |
| 114677 | 2014-05-29 | cif/ Adding structures of 4511047, 4511048, 4511049, 4511050 via cif-deposit CGI script. |
4511047.cif |
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Users of the data should acknowledge the original authors of the
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