Crystallography Open Database

Information card for entry 4334825

Preview

Coordinates	4334825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 Cl Cu N2 O6
Calculated formula	C14 H17 Cl Cu N2 O6
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	9.0049 ± 0.0003 Å
b	9.091 ± 0.0002 Å
c	10.3035 ± 0.0003 Å
α	94.19 ± 0.001°
β	98.429 ± 0.001°
γ	97.648 ± 0.003°
Cell volume	823.25 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0569
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
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.	4334825.cif
100709	2014-02-07	cif/ Adding structures of 4334825 via cif-deposit CGI script.	4334825.cif