Crystallography Open Database

Information card for entry 7021898

Preview

Coordinates	7021898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 N4 O2 Zn
Calculated formula	C6 H5 N4 O2 Zn
Title of publication	Framework isomers controlled by the speed of crystallization: different aggregation fashions of Zn(ii) and 1,2,4-triazol-3-amine, distinct (3,4)-connected self-penetrating nets, and various pore shapes.
Authors of publication	Luo, Ming-Biao; Yuan, Zi-Zun; Xu, Wen-Yuan; Luo, Feng; Li, Jian-Qiang; Zhu, Yan; Feng, Xue-Feng; Liu, Shu-Juan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	38
Pages of publication	13802 - 13805
a	11.8739 ± 0.0015 Å
b	11.8739 ± 0.0015 Å
c	25.494 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	3112.8 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.186
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179923 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/18.	7021898.cif
88859	2013-10-09	cif/ Adding structures of 7021897, 7021898 via cif-deposit CGI script.	7021898.cif