Crystallography Open Database

Information card for entry 7208243

7208242 << 7208243 >> 7208244

Preview

Coordinates	7208243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 Li12 O49 S6
Calculated formula	C18 H38 Li12 O49 S6
SMILES	C1(=C(C(C(=C(C1=O)[O-])S(=O)(=O)[O-])=O)[O-])S(=O)(=O)[O-].[Li+].[Li+].[Li+].O.O.O.O.[Li+].O.O.O
Title of publication	Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes
Authors of publication	Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	16
Pages of publication	5274
a	36.593 ± 0.007 Å
b	12.589 ± 0.003 Å
c	10.619 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4891.8 ± 1.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7208243.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208243.cif
64233	2012-08-11	cif/ Adding structures of 7208241, 7208242, 7208243, 7208244, 7208245, 7208246 via cif-deposit CGI script.	7208243.cif