Crystallography Open Database

Information card for entry 4503644

Preview

Coordinates	4503644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H2 Br Cd N3 O0 S
Calculated formula	C2 H2 Br Cd N3 S
Title of publication	Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties
Authors of publication	Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2562
a	10.877 ± 0.003 Å
b	7.937 ± 0.003 Å
c	14.299 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1234.4 ± 0.7 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179571 (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 4/50/36.	4503644.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503644.cif
41685	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503643, 4503644, 4503645, 4503646, 4503647, 4503648 via cif-deposit CGI script.	4503644.cif