Crystallography Open Database

Information card for entry 4334823

Preview

Coordinates	4334823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Cl2 Cu2 N4 O11
Calculated formula	C26 H26 Cl2 Cu2 N4 O11
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	22.9841 ± 0.0004 Å
b	13.3899 ± 0.0002 Å
c	23.233 ± 0.0005 Å
α	90°
β	94.514 ± 0.001°
γ	90°
Cell volume	7127.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1025
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.1931
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4334823.cif
100707	2014-02-07	cif/ Adding structures of 4334823 via cif-deposit CGI script.	4334823.cif