Crystallography Open Database

Information card for entry 7210389

Preview

Coordinates	7210389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N6 O10 Zn2
Calculated formula	C20 H18 N6 O10 Zn2
Title of publication	A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation
Authors of publication	Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	35
Pages of publication	7031
a	17.724 ± 0.005 Å
b	19.705 ± 0.005 Å
c	13.139 ± 0.006 Å
α	90°
β	127.496 ± 0.002°
γ	90°
Cell volume	3641 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
180434 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03.	7210389.cif
87612	2013-08-27	cif/ Adding structures of 7210389, 7210390 via cif-deposit CGI script.	7210389.cif