Crystallography Open Database

Information card for entry 7215718

Preview

Coordinates	7215718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Cu N4 O5
Calculated formula	C8 H8 Cu N4 O5
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	13.5498 ± 0.0016 Å
b	6.5985 ± 0.0008 Å
c	13.6226 ± 0.0016 Å
α	90°
β	116.118 ± 0.002°
γ	90°
Cell volume	1093.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0439
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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