Crystallography Open Database

Information card for entry 8102549

Preview

Coordinates	8102549.cif

Structure parameters

Chemical name	pentaaqua-tris(1,3,4-thiadiazole-2,5-diyldithio)diacetato -yttrium(III): [Y~2~(tzda)~3~(H~2~O)~5~]~n~
Formula	C18 H22 N6 O17 S9 Y2
Calculated formula	C18 H22 N6 O17 S9 Y2
Title of publication	Crystal structure of pentaaqua-tris[(1,3,4-thiadiazole-2,5-diyldithio)diacetato]diyttrium(III), Y2(H2O)5(C6H12NO4S3)3
Authors of publication	Yu-Ting Wang; Hui-Ling Li; Jian-Ge Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	655
a	9.5713 ± 0.0009 Å
b	13.7001 ± 0.0013 Å
c	14.9315 ± 0.0014 Å
α	64.646 ± 0.001°
β	82.282 ± 0.001°
γ	81.089 ± 0.001°
Cell volume	1742.9 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0308
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102549.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102549.cif
13288	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102549 via cif-deposit CGI script.	8102549.cif