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Information card for entry 7210901
Preview
| Coordinates | 7210901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 N5 O6 Zn |
|---|---|
| Calculated formula | C18 H19 N5 O6 Zn |
| Title of publication | Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties |
| Authors of publication | Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 41 |
| Pages of publication | 8353 |
| a | 9.4798 ± 0.0012 Å |
| b | 10.1009 ± 0.0012 Å |
| c | 11.1659 ± 0.0014 Å |
| α | 96.353 ± 0.006° |
| β | 111.398 ± 0.005° |
| γ | 99.654 ± 0.005° |
| Cell volume | 964 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180440 (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 7/21/09. |
7210901.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 {}' |
7210901.cif |
| 90148 | 2013-11-17 | cif/ Adding structures of 7210900, 7210901, 7210902, 7210903, 7210904, 7210905, 7210906, 7210907, 7210908, 7210909 via cif-deposit CGI script. |
7210901.cif |
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Users of the data should acknowledge the original authors of the
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