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Information card for entry 7205896
Preview
| Coordinates | 7205896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26 N Ni O8.5 |
|---|---|
| Calculated formula | C21 H26 N Ni O8.5 |
| SMILES | [Ni]12([N](=Cc3c(O1)ccc1ccccc31)[C@H](C(=O)O2)Cc1ccc(O)cc1)([OH]C)([OH2])[OH2].O.O |
| Title of publication | Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives |
| Authors of publication | New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4228 |
| a | 6.9571 ± 0.0005 Å |
| b | 7.5601 ± 0.0005 Å |
| c | 41.523 ± 0.003 Å |
| α | 90° |
| β | 93.349 ± 0.001° |
| γ | 90° |
| Cell volume | 2180.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7205896.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 {}' |
7205896.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205896.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205896.cif |
| 21045 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205894, 7205895, 7205896 via cif-deposit CGI script. |
7205896.cif |
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