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Information card for entry 7052828
Preview
| Coordinates | 7052828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H56 Cl4 Cr5 N26 S2 |
|---|---|
| Calculated formula | C72 H56 Cl4 Cr5 N26 S2 |
| Title of publication | Fine tuning of pentachromium(ii) metal string complexes through elaborate design of ligand |
| Authors of publication | Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Huang, Yi-Lin; Yeh, Chen-Yu; Fu, Ming-Dung; Chen, Chun-hsien; Peng, Shie-Ming |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2012 |
| Journal volume | 36 |
| Journal issue | 3 |
| Pages of publication | 632 |
| a | 14.8488 ± 0.0002 Å |
| b | 31.4891 ± 0.0004 Å |
| c | 15.963 ± 0.0002 Å |
| α | 90° |
| β | 95.5875 ± 0.0006° |
| γ | 90° |
| Cell volume | 7428.44 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1169 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1443 |
| Weighted residual factors for all reflections included in the refinement | 0.1684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180082 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28. |
7052828.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 {}' |
7052828.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052828.cif |
| 37622 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7052826, 7052827, 7052828 via cif-deposit CGI script. |
7052828.cif |
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