Crystallography Open Database

Information card for entry 7216766

Preview

Coordinates	7216766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 Cu N3 O5
Calculated formula	C10 H6.5 Cu N3 O5
Title of publication	Strong Antiferromagnetic Interaction in a 3D Copper-Organic Framework and Spin-glass-like Behaviour in a 1D Nickel Compound
Authors of publication	Liao, Shengyun; Li, Tianhao; Tian, Jin-Lei; Yang, Linyan; Gu, Wen; Liu, Xin
Journal of publication	RSC Advances
Year of publication	2014
a	10.3314 ± 0.0015 Å
b	12.3196 ± 0.0018 Å
c	19.042 ± 0.003 Å
α	106.785 ± 0.003°
β	93.694 ± 0.003°
γ	94.284 ± 0.003°
Cell volume	2304.5 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0947
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.178
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180498 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216766.cif
118047	2014-06-25	cif/ Adding structures of 7216766, 7216767 via cif-deposit CGI script.	7216766.cif