Crystallography Open Database

Information card for entry 1516863

Preview

Coordinates	1516863.cif

Structure parameters

Formula	C22 H15 Cd N5 O5 S
Calculated formula	C22 H15 Cd N5 O5 S
Title of publication	Effect of organic polycarboxylates on the architectures of cadmium(II) coordination polymers based on dipyrazino[2,3-f:2'3'-h]quino-xaline: Syntheses, crystal structures, and photoluminescence properties
Authors of publication	Xiu-Li Wang; Yun Qu; Guo-Cheng Liu; Jian Luan; Hong-Yan Lin
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	105 - 111
a	9.412 ± 0.0007 Å
b	10.4276 ± 0.0008 Å
c	11.2794 ± 0.0009 Å
α	69.936 ± 0.001°
β	85.741 ± 0.001°
γ	85.582 ± 0.001°
Cell volume	1035.38 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516863.cif
119558	2014-07-07	cif/ Adding structures of 1516863 via cif-deposit CGI script.	1516863.cif