Crystallography Open Database

Information card for entry 7208786

7208785 << 7208786 >> 7208787

Preview

Coordinates	7208786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H50 N10 O32 S8 Tm2
Calculated formula	C10 H50 N10 O32 S8 Tm2
SMILES	C(C[NH3+])[NH3+].C(C[NH3+])[NH3+].[NH3+]CC[NH3+].O1S(=O)(O[Tm]2341(OS(=O)(=O)O[Tm]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	8.727 ± 0.004 Å
b	9.793 ± 0.004 Å
c	13.407 ± 0.009 Å
α	99.014 ± 0.007°
β	93.045 ± 0.007°
γ	115.736 ± 0.004°
Cell volume	1009.9 ± 0.9 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	0.0368
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
198632 (current)	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.	7208786.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.	7208786.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 {}'	7208786.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208786.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.	7208786.cif