Crystallography Open Database

Information card for entry 1562667

Preview

Coordinates	1562667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 Cd I N6 O2
Calculated formula	C5 H7 Cd I N6 O2
Title of publication	Cadmium(II) and Copper(II) coordination polymers based on 5-(Pyrazinyl) tetrazolate ligand: Structure, photoluminescence, theoretical calculations and magnetism
Authors of publication	Chen, Hui-Fen; Yang, Wen-Bin; Lin, Lang; Guo, Xiang-Guang; Dui, Xue-jing; Wu, Xiao-Yuan; Lu, Can-Zhong; Zhang, Cui-Juan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	201
Pages of publication	215 - 221
a	7.5524 ± 0.0009 Å
b	14.0579 ± 0.0019 Å
c	9.973 ± 0.0013 Å
α	90°
β	96.162 ± 0.011°
γ	90°
Cell volume	1052.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
265305 (current)	2021-05-18	cif/ Adding structures of 1562667, 1562668 via cif-deposit CGI script.	1562667.cif