Crystallography Open Database

Information card for entry 7207649

7207648 << 7207649 >> 7207650

Preview

Coordinates	7207649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Ag N5 S
Calculated formula	C7 H12 Ag N5 S
Title of publication	Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies
Authors of publication	Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	8
Pages of publication	2787
a	6.2611 ± 0.0013 Å
b	6.4887 ± 0.0013 Å
c	12.483 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	507.14 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	26
Hermann-Mauguin space group symbol	P m c 21
Hall space group symbol	P 2c -2
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
180407 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/76.	7207649.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207649.cif
52057	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207649, 7207650, 7207651 via cif-deposit CGI script.	7207649.cif