Crystallography Open Database

Information card for entry 4507729

Preview

Coordinates	4507729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 N8 O4 Zn2
Calculated formula	C12 H10 N8 O4 Zn2
Title of publication	New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties
Authors of publication	Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	2118
a	12.5223 ± 0.0004 Å
b	12.5223 ± 0.0004 Å
c	26.0224 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4080.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179613 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/77.	4507729.cif
85650	2013-05-07	cif/ Adding structures of 4507729, 4507730, 4507731 via cif-deposit CGI script.	4507729.cif