Crystallography Open Database

Information card for entry 4326707

Preview

Coordinates	4326707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H112 Cu8 N24 O60
Calculated formula	C56 H112.16 Cu8 N24 O60.08
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	28.4502 ± 0.0018 Å
b	28.4502 ± 0.0018 Å
c	7.149 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5786.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1923
Weighted residual factors for all reflections included in the refinement	0.2106
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4326707.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326707.cif
49481	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326707 via cif-deposit CGI script.	4326707.cif