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Information card for entry 7208785
Preview
| Coordinates | 7208785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H50 Er2 N10 O32 S8 |
|---|---|
| Calculated formula | C10 H50 Er2 N10 O32 S8 |
| SMILES | C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].[NH3+]CC[NH3+].O1S(=O)(O[Er]2341(OS(=O)(=O)O[Er]156(OS(O5)(=O)=O)(OS(=O)(=O)O1)(OS(=O)(=O)O2)OS(=O)(=O)O6)(OS(=O)(=O)O4)OS(=O)(=O)O3)=O.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+] |
| Title of publication | A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects |
| Authors of publication | Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 6627 |
| a | 8.7375 ± 0.0018 Å |
| b | 9.817 ± 0.002 Å |
| c | 13.443 ± 0.003 Å |
| α | 98.975 ± 0.002° |
| β | 92.892 ± 0.002° |
| γ | 115.75 ± 0.002° |
| Cell volume | 1016.8 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7208785.cif |
| 198632 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7208785.cif |
| 180418 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/87. |
7208785.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 {}' |
7208785.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208785.cif |
| 71476 | 2013-01-20 | cif/ Adding structures of 7208777, 7208778, 7208779, 7208780, 7208781, 7208782, 7208783, 7208784, 7208785, 7208786, 7208787, 7208788 via cif-deposit CGI script. |
7208785.cif |
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Users of the data should acknowledge the original authors of the
structural data.