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Information card for entry 7207999
Preview
| Coordinates | 7207999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H8 Cu2 N4 O7 |
|---|---|
| Calculated formula | C11 H8 Cu2 N4 O7 |
| Title of publication | Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3] |
| Authors of publication | Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 4027 |
| a | 13.6447 ± 0.0017 Å |
| b | 7.2706 ± 0.0009 Å |
| c | 15.5079 ± 0.0014 Å |
| α | 90° |
| β | 122.524 ± 0.007° |
| γ | 90° |
| Cell volume | 1297.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0664 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1484 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180410 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/79. |
7207999.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 {}' |
7207999.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207999.cif |
| 60416 | 2012-06-14 | cif/ Adding structures of 7207999, 7208000 via cif-deposit CGI script. |
7207999.cif |
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Users of the data should acknowledge the original authors of the
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