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Information card for entry 1513271
Preview
| Coordinates | 1513271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H80 Cu N8 O8 |
|---|---|
| Calculated formula | C64 H80 Cu N8 O8 |
| SMILES | c12c3c(c4=Nc5c6c(c7N=c8c9c(c%10N=c%11c%12c(c(=N2)n%11[Cu]([n]14)([n]8%10)n57)c(ccc%12OCCCC)OCCCC)c(ccc9OCCCC)OCCCC)c(ccc6OCCCC)OCCCC)c(ccc3OCCCC)OCCCC |
| Title of publication | Solution-Processed Microwires of Phthalocyanine Copper(II) Derivative with Excellent Conductivity |
| Authors of publication | Zhang, Yu; Zhang, Zuolun; Zhao, Yunfeng; Fan, Yan; Tong, Tianjian; Zhang, Hongyu; Wang, Yue |
| Journal of publication | Langmuir |
| Year of publication | 2009 |
| Journal volume | 25 |
| Journal issue | 11 |
| Pages of publication | 6045 - 6048 |
| a | 13.727 ± 0.003 Å |
| b | 26.661 ± 0.005 Å |
| c | 16.663 ± 0.003 Å |
| α | 90° |
| β | 101.32 ± 0.03° |
| γ | 90° |
| Cell volume | 5980 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2664 |
| Residual factor for significantly intense reflections | 0.1324 |
| Weighted residual factors for significantly intense reflections | 0.2273 |
| Weighted residual factors for all reflections included in the refinement | 0.2795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| 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. |
1513271.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 {}' |
1513271.cif |
| 99189 | 2014-01-30 | cif/ Adding structures of 1513271 via cif-deposit CGI script. |
1513271.cif |
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Users of the data should acknowledge the original authors of the
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