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Information card for entry 4510754
Preview
| Coordinates | 4510754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H56 N8 Ni3 O28 |
|---|---|
| Calculated formula | C60 H56 N8 Ni3 O28 |
| Title of publication | A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties |
| Authors of publication | Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 2756 |
| a | 10.1438 ± 0.0007 Å |
| b | 11.2973 ± 0.0009 Å |
| c | 14.1941 ± 0.001 Å |
| α | 72.882 ± 0.001° |
| β | 88.101 ± 0.001° |
| γ | 81.084 ± 0.001° |
| Cell volume | 1535.63 ± 0.19 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 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 | 0.0705 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179654 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07. |
4510754.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 {}' |
4510754.cif |
| 113146 | 2014-05-08 | cif/ Adding structures of 4510749, 4510750, 4510751, 4510752, 4510753, 4510754 via cif-deposit CGI script. |
4510754.cif |
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Users of the data should acknowledge the original authors of the
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