Crystallography Open Database

Information card for entry 4338545

Preview

Coordinates	4338545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Cu3 K6 N6 O26.5
Calculated formula	C24 H23 Cu3 K6 N6 O26.5
Title of publication	Ferromagnetic Coupling by Spin Polarization in a Trinuclear Copper(II) Metallacyclophane with a Triangular Cage-Like Structure
Authors of publication	Dul, Marie-Claire; Ottenwaelder, Xavier; Pardo, Emilio; Lescouëzec, Rodrigue; Journaux, Yves; Chamoreau, Lise-Marie; Ruiz-García, Rafael; Cano, Joan; Julve, Miguel; Lloret, Francesc
Journal of publication	Inorganic chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5244 - 5249
a	13.4725 ± 0.0019 Å
b	13.71 ± 0.002 Å
c	13.773 ± 0.002 Å
α	67.915 ± 0.012°
β	62.217 ± 0.01°
γ	68.617 ± 0.011°
Cell volume	2029.2 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
209989 (current)	2018-08-20	cif/4/ Updating bibliography in entries 4302335, 4338545. Marking entry 4302335 as a duplicate of entry 4338545.	4338545.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4338545.cif
114740	2014-05-29	cif/ Adding structures of 4338545 via cif-deposit CGI script.	4338545.cif