Crystallography Open Database

Information card for entry 8103123

Preview

Coordinates	8103123.cif

Structure parameters

Chemical name	tris(piperazinium) hexatungstotellurate(VI) hexahydrate
Formula	C12 H48 N6 O30 Te W6
Calculated formula	C12 H36 N6 O30 Te W6
Title of publication	Crystal structure of tris(piperazinium) hexakis[(μ3-oxo)(μ2-oxo)-dioxotungsten]tellurate(VI) hexahydrate, [C4H12N2]3[TeW6O24] · 6H2O
Authors of publication	Jaeun Kang; Jeesun Ahn; Haejin Shin; Seungmoon Pyo; Hoseop Yun; Junghwan Do
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	129
a	9.4863 ± 0.0019 Å
b	11.709 ± 0.002 Å
c	17.242 ± 0.003 Å
α	90°
β	100.37 ± 0.03°
γ	90°
Cell volume	1883.9 ± 0.6 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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.	8103123.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103123.cif
29074	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103123 via cif-deposit CGI script.	8103123.cif