Crystallography Open Database

Information card for entry 4335520

Preview

Coordinates	4335520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 Cu2 N2 O10
Calculated formula	C12 H22 Cu2 N2 O10
SMILES	O1C(C)=[O][Cu]234([O]=C(C)O[Cu]14([O]=C(C)O2)([O]=C(C)O3)[O]=C(C)N)[O]=C(C)N
Title of publication	Unusual Conformation of a Dinuclear Paddle Wheel Copper(II) Complex. Synthesis, Structural Characterization and EPR Studies
Authors of publication	Verónica Paredes-García; Ricardo C. Santana; Rosa Madrid; Andrés Vega; Evgenia Spodine; Diego Venegas-Yazigi
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8369 - 8377
a	15.4663 ± 0.0019 Å
b	9.6665 ± 0.0012 Å
c	14.6754 ± 0.0018 Å
α	90°
β	119.874 ± 0.002°
γ	90°
Cell volume	1902.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0406
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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.	4335520.cif
101453	2014-02-14	cif/ Adding structures of 4335520 via cif-deposit CGI script.	4335520.cif