Crystallography Open Database

Information card for entry 4504767

Preview

Coordinates	4504767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 Cu4 N2 O16
Calculated formula	C44 H50 Cu4 N2 O16
Title of publication	α-Po Nets of Copper(II)-trans-1,4-Cyclohexanedicarboxylate Frameworks Based on a Paddle-Wheel Building Block and Its Enlarged Dimer
Authors of publication	Chen, Banglin; Fronczek, Frank R.; Courtney, Brandy H.; Zapata, Fatima
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	4
Pages of publication	825
a	10.708 ± 0.004 Å
b	10.822 ± 0.005 Å
c	11.457 ± 0.006 Å
α	111.84 ± 0.02°
β	93.35 ± 0.03°
γ	113.52 ± 0.03°
Cell volume	1096.1 ± 1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.145
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179582 (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 4/50/47.	4504767.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504767.cif
47515	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504767 via cif-deposit CGI script.	4504767.cif