Crystallography Open Database

Information card for entry 4331597

Preview

Coordinates	4331597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H129 Cl7 Cu2.5 N7 O13
Calculated formula	C111 H127 Cl7.1 Cu1.5 N7 O13
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	17.17 ± 0.002 Å
b	18.771 ± 0.002 Å
c	21.888 ± 0.003 Å
α	106.777 ± 0.005°
β	92.097 ± 0.005°
γ	108.334 ± 0.009°
Cell volume	6348 ± 1.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.1252
Residual factor for significantly intense reflections	0.1016
Weighted residual factors for significantly intense reflections	0.2855
Weighted residual factors for all reflections included in the refinement	0.3175
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331597.cif
97730	2014-01-29	cif/ Adding structures of 4331597 via cif-deposit CGI script.	4331597.cif