Crystallography Open Database

Information card for entry 4509974

Preview

Coordinates	4509974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 N4 S
Calculated formula	C10 H8 N4 S
SMILES	c1nccn1c1ccc(n2ccnc2)s1
Title of publication	Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers
Authors of publication	Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	300
a	9.2946 ± 0.0011 Å
b	10.8638 ± 0.0012 Å
c	10.7403 ± 0.0012 Å
α	90°
β	113.337 ± 0.001°
γ	90°
Cell volume	995.8 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	0.909
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509974.cif
104157	2014-03-10	cif/ Adding structures of 4509974, 4509975, 4509976, 4509977, 4509978, 4509979, 4509980, 4509981, 4509982 via cif-deposit CGI script.	4509974.cif