Crystallography Open Database

Information card for entry 1517129

Preview

Coordinates	1517129.cif

Structure parameters

Formula	C40 H44 Cu4 N8 O46 Si W12
Calculated formula	C40 H32 Cu4 N8 O46 Si W12
Title of publication	Two new compounds constructed from polyoxoanions, metal ions and organic ligands
Authors of publication	Shu-Yun Shi; Zhan-Lin Xu; Hong-Hui Teng; Ling-Zi Zhao; Xiao-Bing Cui; Ji-Qing Xu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	123 - 127
a	15.795 ± 0.003 Å
b	23.522 ± 0.004 Å
c	21.226 ± 0.004 Å
α	90°
β	100.155 ± 0.013°
γ	90°
Cell volume	7763 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
176729 (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 1.	1517129.cif
120396	2014-07-15	cif/ Adding structures of 1517129 via cif-deposit CGI script.	1517129.cif