Crystallography Open Database

Information card for entry 4317710

Preview

Coordinates	4317710.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2PEA2](ClO4)2.2.5CH3CN
Formula	C41 H37.5 Cl2 Cu2 N10.5 O10
Calculated formula	C41 H36 Cl2 Cu2 N10.5 O10
Title of publication	Chiral Monomeric and Homochiral Dimeric Copper(II) Complexes of a New Chiral Ligand, N-(1,2-Bis(2-pyridyl)ethyl)pyridine-2-carboxamide: An Example of Molecular Self-Recognition
Authors of publication	John M. Rowland; Marilyn M. Olmstead; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1545 - 1549
a	12.4124 ± 0.0007 Å
b	13.6347 ± 0.0008 Å
c	25.7106 ± 0.0015 Å
α	90°
β	90.893 ± 0.001°
γ	90°
Cell volume	4350.7 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.062
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4317710.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317710.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317710.cif
13988	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317710 via cif-deposit CGI script.	4317710.cif