Crystallography Open Database

Information card for entry 7212730

Preview

Coordinates	7212730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H0 Ag4 N16 O40 Si W12
Calculated formula	C40 Ag4 N16 O40 Si W12
Title of publication	A new IR non-linear optical material with 2D 3-fold interpenetrated topology
Authors of publication	Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Chen, Shan-Ci; Lu, Can-Zhong
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3490
a	26.172 ± 0.005 Å
b	15.846 ± 0.003 Å
c	20.566 ± 0.007 Å
α	90°
β	110.119 ± 0.002°
γ	90°
Cell volume	8009 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
180458 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212730.cif
93253	2014-01-12	cif/ Adding structures of 7212730 via cif-deposit CGI script.	7212730.cif