Crystallography Open Database

Information card for entry 4331595

Preview

Coordinates	4331595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104.5 H129.5 Cl Cu1.5 N62 O14.5
Calculated formula	C104.5 H87.5 Cl Cu1.5 N6 O14.5
Title of publication	Supramolecular Assemblies with Calix[6]arenes and Copper Ions: from Dinuclear to Trinuclear Linear Arrangements of Hydroxo−Cu(II) Complexes
Authors of publication	Izzet, Guillaume; Akdas, Huriye; Hucher, Nicolas; Giorgi, Michel; Prangé, Thierry; Reinaud, Olivia
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1069 - 1077
a	15.346 ± 0.003 Å
b	16.798 ± 0.003 Å
c	22.227 ± 0.006 Å
α	87.283 ± 0.009°
β	83.533 ± 0.009°
γ	76.486 ± 0.009°
Cell volume	5534 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1231
Residual factor for significantly intense reflections	0.1021
Weighted residual factors for significantly intense reflections	0.2678
Weighted residual factors for all reflections included in the refinement	0.2915
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
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.	4331595.cif
97728	2014-01-29	cif/ Adding structures of 4331595 via cif-deposit CGI script.	4331595.cif