Crystallography Open Database

Information card for entry 7222485

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Structure parameters

Common name	[Cu2(L-Cl-O)(C3H3N2)(ClO4)](ClO4)
Formula	C35 H33 Cl3 Cu2 N8 O9
Calculated formula	C35 H33 Cl3 Cu2 N8 O9
Title of publication	Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate
Authors of publication	Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas
Journal of publication	RSC Adv.
Year of publication	2015
a	16.3363 ± 0.001 Å
b	10.3267 ± 0.0006 Å
c	23.9249 ± 0.0015 Å
α	90°
β	106.81 ± 0.002°
γ	90°
Cell volume	3863.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0986
Weighted residual factors for significantly intense reflections	0.2195
Weighted residual factors for all reflections included in the refinement	0.2343
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7222485.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222485.cif
161231	2015-10-09	cif/ Adding structures of 7222484, 7222485, 7222486, 7222487, 7222488 via cif-deposit CGI script.	7222485.cif