Crystallography Open Database

Information card for entry 4504243

Preview

Coordinates	4504243.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper(II) terephthalate
Formula	C19 H16 Cu2 N O10
Calculated formula	C19 H17 Cu2 N O10
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	27.948 ± 0.005 Å
b	25.11 ± 0.005 Å
c	15.232 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10689 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1536
Residual factor for significantly intense reflections	0.0931
Weighted residual factors for significantly intense reflections	0.1965
Weighted residual factors for all reflections included in the refinement	0.2243
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179577 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/42.	4504243.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504243.cif
44989	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504243 via cif-deposit CGI script.	4504243.cif