Crystallography Open Database

Information card for entry 7012463

Preview

Coordinates	7012463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H22 La2 N2 O22 S4
Calculated formula	C2 H22 La2 N2 O22 S4
Title of publication	Hydrothermal synthesis and structure of [C2N2H10][La2(H2O)4(SO4)4]·2H2O, a new organically templated rare earth sulfate with a layer structure
Authors of publication	Yan Xing; Zhan shi; Guanghua Li; Wenqin Pang
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	5
Pages of publication	940 - 943
a	6.922 ± 0.0008 Å
b	31.639 ± 0.004 Å
c	9.6388 ± 0.0011 Å
α	90°
β	105.02 ± 0.003°
γ	90°
Cell volume	2038.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012463.cif
179828	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/24.	7012463.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012463.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012463.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012463.cif