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Information card for entry 7031784
Preview
| Coordinates | 7031784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H68 Cl2 N8 O19 S5 Zn2 |
|---|---|
| Calculated formula | C50 H50 Cl N8 O16 S2 Zn2 |
| SMILES | Cl(=O)(=O)(=O)[O-].[Zn]12345[O]6[Zn]789([O]=C(N[N]8=Cc8c6c(cc(c8)C)C=[N]4NC(=[O]1)c1c(O)cccc1)c1c(O)cccc1)[O]=C(N[N]9=Cc1c([O]27)c(cc(c1)C)C=[N]5NC(=[O]3)c1c(O)cccc1)c1c(O)cccc1.S(=O)(C)C.S(=O)(C)C |
| Title of publication | A binuclear Zn(ii)-Zn(ii) complex from a 2-hydroxybenzohydrazide-derived Schiff base for selective detection of pyrophosphate. |
| Authors of publication | Wang, Junfeng; Liu, Bin; Liu, Xiumin; Panzner, Matthew J.; Wesdemiotis, Chrys; Pang, Yi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 14142 - 14146 |
| a | 15.1259 ± 0.0008 Å |
| b | 15.7972 ± 0.0008 Å |
| c | 17.4231 ± 0.0009 Å |
| α | 99.786 ± 0.002° |
| β | 114.09 ± 0.002° |
| γ | 101.889 ± 0.002° |
| Cell volume | 3565.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1742 |
| Weighted residual factors for all reflections included in the refinement | 0.1819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180023 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031784.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 {}' |
7031784.cif |
| 123469 | 2014-09-08 | cif/ Updating files of 7031784 Original log message: Adding full bibliography for 7031784.cif. |
7031784.cif |
| 120913 | 2014-07-30 | cif/ Adding structures of 7031784 via cif-deposit CGI script. |
7031784.cif |
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Users of the data should acknowledge the original authors of the
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