Crystallography Open Database

Information card for entry 4339777

Preview

Coordinates	4339777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 Cu N4 O2
Calculated formula	C6 H4 Cu N4 O2
Title of publication	Two new copper azido polymorphs: structures, magnetic properties, and effects of "noninnocent" reagents in hydrothermal methods.
Authors of publication	Liu, Fu-Chen; Zeng, Yong-Fei; Zhao, Jiong-Peng; Hu, Bo-Wen; Sañudo, E Carolina; Ribas, Joan; Bu, Xian-He
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7698 - 7700
a	4.872 ± 0.0014 Å
b	14.347 ± 0.004 Å
c	11.655 ± 0.003 Å
α	90°
β	114.709 ± 0.009°
γ	90°
Cell volume	740.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339777.cif
117534	2014-06-15	cif/ Adding structures of 4339777 via cif-deposit CGI script.	4339777.cif