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Information card for entry 7208787
Preview
Coordinates | 7208787.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H50 N10 O32 S8 Yb2 |
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Calculated formula | C10 H50 N10 O32 S8 Yb2 |
SMILES | C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].[NH3+]CC[NH3+].O1S(=O)(O[Yb]2341(OS(=O)(=O)O[Yb]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 | 8.744 ± 0.01 Å |
b | 9.802 ± 0.012 Å |
c | 13.444 ± 0.016 Å |
α | 99.049 ± 0.013° |
β | 93.013 ± 0.013° |
γ | 115.786 ± 0.013° |
Cell volume | 1015 ± 2 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 | 0.0374 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180418 (current) | 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. |
7208787.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 {}' |
7208787.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208787.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. |
7208787.cif |
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Users of the data should acknowledge the original authors of the
structural data.