Crystallography Open Database

Information card for entry 4107281

Preview

Coordinates	4107281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H108 Cu2 N4 O20 P4
Calculated formula	C124 H92 Cu2 N4 O20 P4
Title of publication	Structure and Magnetism of Dinuclear Copper(II) Metallacyclophanes with Oligoacenebis(oxamate) Bridging Ligands: Theoretical Predictions on Wirelike Magnetic Coupling
Authors of publication	Emilio Pardo; Rosa Carrasco; Rafael Ruiz-García; Miguel Julve; Francesc Lloret; M. Carmen Muñoz; Yves Journaux; Eliseo Ruiz; Joan Cano
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	576 - 585
a	16.024 ± 0.005 Å
b	24.939 ± 0.003 Å
c	16.859 ± 0.003 Å
α	90°
β	113.376 ± 0.019°
γ	90°
Cell volume	6184 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1857
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.217
Weighted residual factors for all reflections included in the refinement	0.2693
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107281.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107281.cif
54937	2012-05-02	cif/ Adding structures of 4107281 via cif-deposit CGI script.	4107281.cif