Crystallography Open Database

Information card for entry 7215716

Preview

Coordinates	7215716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Cu N4 O4
Calculated formula	C8 H6 Cu N4 O4
Title of publication	Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds
Authors of publication	Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	4194
a	6.785 ± 0.005 Å
b	7.594 ± 0.006 Å
c	10.591 ± 0.008 Å
α	70.714 ± 0.015°
β	77.107 ± 0.014°
γ	88.869 ± 0.014°
Cell volume	501.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1716
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.236
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7215716.html