Crystallography Open Database

Information card for entry 7021897

Preview

Coordinates	7021897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 N8 O4 Zn2
Calculated formula	C12 H10 N8 O4 Zn2
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	12.6724 ± 0.0004 Å
b	12.6724 ± 0.0004 Å
c	25.2868 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4060.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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.	7021897.cif
88859	2013-10-09	cif/ Adding structures of 7021897, 7021898 via cif-deposit CGI script.	7021897.cif