Crystallography Open Database

Information card for entry 4334824

Preview

Coordinates	4334824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Cl2 Cu N4 O9
Calculated formula	C28 H30 Cl2 Cu N4 O9
Title of publication	Structural and Magnetic Characterization of a Tetranuclear Copper(II) Cubane Stabilized by Intramolecular Metal Cation-π Interactions
Authors of publication	Raffaello Papadakis; Eric Rivière; Michel Giorgi; Hélène Jamet; Pierre Rousselot-Pailley; Marius Réglier; A. Jalila Simaan; Thierry Tron
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5824 - 5830
a	20.8464 ± 0.0005 Å
b	8.4305 ± 0.0002 Å
c	17.6443 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3100.91 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1771
Weighted residual factors for all reflections included in the refinement	0.2313
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
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
179451 (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 4/33/48.	4334824.cif
100708	2014-02-07	cif/ Adding structures of 4334824 via cif-deposit CGI script.	4334824.cif