Crystallography Open Database

Information card for entry 4504242

Preview

Coordinates	4504242.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper(II) terephthalate
Formula	C23 H27 Cu2 N2 O11.5
Calculated formula	C23.816 H20.5 Cu2 N2 O11.908
Title of publication	A Tetracarboxylate−Bridged Dicopper(II) Paddle-Wheel-Based 2-D Porous Coordination Polymer with Gas Sorption Properties
Authors of publication	Xue, Dong-Xu; Lin, Yan-Yong; Cheng, Xiao-Ning; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	7
Pages of publication	1332
a	28.129 ± 0.006 Å
b	25.034 ± 0.005 Å
c	15.343 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10804 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504242.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504242.cif
44988	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504242 via cif-deposit CGI script.	4504242.cif