Crystallography Open Database

Information card for entry 7206019

7206018 << 7206019 >> 7206020

Preview

Coordinates	7206019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 Cu N4
Calculated formula	C2 H3 Cu N4
Title of publication	Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer
Authors of publication	Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	11
Pages of publication	3827
a	10.3115 ± 0.0009 Å
b	10.4977 ± 0.001 Å
c	14.7439 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1596 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
180391 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/60.	7206019.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206019.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206019.cif
21314	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7206018, 7206019, 7206020 via cif-deposit CGI script.	7206019.cif