Crystallography Open Database

Information card for entry 4503254

Preview

Coordinates	4503254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cd Cl N8 O2 S2
Calculated formula	C15 H15 Cd Cl 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	5.9697 ± 0.0004 Å
b	13.1004 ± 0.0008 Å
c	13.2752 ± 0.0008 Å
α	93.244 ± 0.001°
β	94.113 ± 0.001°
γ	100.351 ± 0.001°
Cell volume	1016.11 ± 0.11 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0545
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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.	4503254.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503254.cif
41446	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503254 via cif-deposit CGI script.	4503254.cif