Crystallography Open Database

Information card for entry 2311502

Preview

Coordinates	2311502.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[(μ~3~-3-carboxybenzoato)[μ~2~-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)]
Formula	C17 H11 Co N7 O4
Calculated formula	C17 H11 Co N7 O4
Title of publication	Synthesis and crystal structure of a two-dimensional Co<sup>II</sup> coordination polymer: poly[(μ<sub>3</sub>-3-carb-oxy-benzoato)[μ<sub>2</sub>-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)].
Authors of publication	Du, Chao-Jun; Zhao, Xiao-Na; Chen, Bao-Yong
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	1779 - 1781
a	6.5825 ± 0.0005 Å
b	9.0574 ± 0.0012 Å
c	13.9842 ± 0.0012 Å
α	74.214 ± 0.001°
β	84.69 ± 0.002°
γ	82.303 ± 0.001°
Cell volume	793.69 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
245937 (current)	2019-12-25	cif/ Adding structures of 2311502 via cif-deposit CGI script.	2311502.cif