Crystallography Open Database

Information card for entry 7210390

Preview

Coordinates	7210390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N6 O9.5 Zn2
Calculated formula	C20 H20 N6 O9.5 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	8.23 ± 0.004 Å
b	21.274 ± 0.01 Å
c	14.195 ± 0.007 Å
α	90°
β	105.466 ± 0.006°
γ	90°
Cell volume	2395 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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.	7210390.cif
87612	2013-08-27	cif/ Adding structures of 7210389, 7210390 via cif-deposit CGI script.	7210390.cif