Crystallography Open Database

Information card for entry 7037385

Preview

Coordinates	7037385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cl10 Cu2 N4 O10
Calculated formula	C30 H26 Cl10 Cu2 N4 O10
SMILES	c12cccc[n]2[Cu]2([O]([C@@]31C=C(C)c1cccc[n+]31)[Cu]1([n]3c(cccc3)[C@]3(C=C(C)c4cccc[n+]34)[O]21)Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.
Authors of publication	Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	3
Pages of publication	1063 - 1077
a	18.5412 ± 0.0005 Å
b	10.7733 ± 0.0003 Å
c	20.6281 ± 0.0005 Å
α	90°
β	100.364 ± 0.003°
γ	90°
Cell volume	4053.23 ± 0.19 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	0.0731
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176043 (current)	2016-02-05	cif/ Updating files of 7037384, 7037385, 7037386, 7037387, 7037388, 7037389 Original log message: Adding full bibliography for 7037384--7037389.cif.	7037385.cif
170494	2015-11-24	cif/ Adding structures of 7037384, 7037385, 7037386, 7037387, 7037388, 7037389 via cif-deposit CGI script.	7037385.cif