Crystallography Open Database

Information card for entry 4503255

Preview

Coordinates	4503255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 Cd Cl N8 O S2
Calculated formula	C14 H11 Cd Cl N8 O 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	25.979 ± 0.002 Å
b	8.351 ± 0.0007 Å
c	17.1031 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3710.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	4503255.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503255.cif
41447	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503255 via cif-deposit CGI script.	4503255.cif