Crystallography Open Database

Information card for entry 4326706

Preview

Coordinates	4326706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Cu N3 O4
Calculated formula	C7 H7 Cu N3 O4
Title of publication	Solvent Induced Diverse Dimensional Coordination Assemblies of Cupric Benzotriazole-5-carboxylate: Syntheses, Crystal Structures, and Magnetic Properties
Authors of publication	Juan Xiao; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	11032 - 11038
a	6.9797 ± 0.0014 Å
b	19.094 ± 0.004 Å
c	7.5079 ± 0.0015 Å
α	90°
β	114.759 ± 0.003°
γ	90°
Cell volume	908.6 ± 0.3 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	0.0775
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179370 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/67.	4326706.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326706.cif
49480	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326706 via cif-deposit CGI script.	4326706.cif