Crystallography Open Database

Information card for entry 4503253

Preview

Coordinates	4503253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cd N8 O2 S2
Calculated formula	C16 H18 Cd N8 O2 S2
Title of publication	1D Looped Chain, 1D Tube-like Chain, and 3D Inorganic‒Organic Hybrid Coordination Polymers Assembled from 1,6-Di(triazole-1-yl-methyl)-4-R-phenol and Cadmium(II) Thiocyanate
Authors of publication	Chu, Zhao-Lian; Zhu, Hai-Bin; Hu, Da-Hua; Huang, Wei; Gou, Shao-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	5
Pages of publication	1599
a	5.929 ± 0.004 Å
b	13.332 ± 0.009 Å
c	13.364 ± 0.009 Å
α	91.8 ± 0.012°
β	94.277 ± 0.013°
γ	101.147 ± 0.011°
Cell volume	1032.4 ± 1.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
179563 (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 4/50/32.	4503253.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503253.cif
41445	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503253 via cif-deposit CGI script.	4503253.cif