Crystallography Open Database

Information card for entry 7215319

Preview

Coordinates	7215319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H5 N3 O2 Zn
Calculated formula	C4 H5 N3 O2 Zn
Title of publication	Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures
Authors of publication	Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3536
a	9.303 ± 0.006 Å
b	8.413 ± 0.006 Å
c	8.161 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	638.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7215319.cif
111917	2014-04-28	cif/ Adding structures of 7215319, 7215320, 7215321, 7215322, 7215323 via cif-deposit CGI script.	7215319.cif