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Information card for entry 7213654
Preview
| Coordinates | 7213654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Co4(N3)4(PTA)3(4-CV)2]n.2nH2O |
|---|---|
| Formula | C60 H44 Co4 N18 O14 |
| Calculated formula | C60 H40 Co4 N18 O14 |
| Title of publication | Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior |
| Authors of publication | Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 10 |
| Pages of publication | 2009 |
| a | 11.2796 ± 0.0005 Å |
| b | 16.9872 ± 0.0008 Å |
| c | 33.1264 ± 0.0017 Å |
| α | 90° |
| β | 92.11 ± 0.004° |
| γ | 90° |
| Cell volume | 6343 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180467 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/36. |
7213654.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 {}' |
7213654.cif |
| 105148 | 2014-03-11 | cif/ Adding structures of 7213654, 7213655, 7213656 via cif-deposit CGI script. |
7213654.cif |
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Users of the data should acknowledge the original authors of the
structural data.