Crystallography Open Database

Information card for entry 7205112

7205111 << 7205112 >> 7205113

Preview

Coordinates	7205112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cu N2 O4
Calculated formula	C22 H20 Cu N2 O4
Title of publication	Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands
Authors of publication	He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1509
a	14.2254 ± 0.0008 Å
b	10.6516 ± 0.0006 Å
c	13.6134 ± 0.0008 Å
α	90°
β	110.37 ± 0.001°
γ	90°
Cell volume	1933.75 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
180382 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/51.	7205112.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205112.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205112.cif
14551	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205109, 7205110, 7205111, 7205112, 7205113 via cif-deposit CGI script.	7205112.cif