Crystallography Open Database

Information card for entry 4511513

Preview

Coordinates	4511513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Cd N10 S2
Calculated formula	C6 H8 Cd N10 S2
Title of publication	Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions
Authors of publication	Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	9
Pages of publication	2126
a	9.6258 ± 0.0011 Å
b	5.7297 ± 0.0005 Å
c	12.1226 ± 0.0013 Å
α	90°
β	100.094 ± 0.006°
γ	90°
Cell volume	658.25 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4511513.cif
118631	2014-06-30	cif/ Adding structures of 4511513 via cif-deposit CGI script.	4511513.cif