Crystallography Open Database

Information card for entry 7037387

Preview

Coordinates	7037387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 Cu4 N8 O20
Calculated formula	C52 H48 Cu4 N8 O20
SMILES	c12C(c3ccccc3)=[O][Cu]34([n]1cccc2)[O]1[C@@](OC)(c2[n]([Cu]1([O]3C)([O]=N(=O)O[Cu]13([n]5c(cccc5)C(c5ccccc5)=[O]1)[O]1[C@](OC)(c5[n](cccc5)[Cu]1([O]3C)([O]=N(=O)O4)ON(=O)=O)c1ccccc1)ON(=O)=O)cccc2)c1ccccc1
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	11.7946 ± 0.0002 Å
b	17.9549 ± 0.0003 Å
c	13.2815 ± 0.0002 Å
α	90°
β	107.407 ± 0.002°
γ	90°
Cell volume	2683.83 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7037387.cif
170494	2015-11-24	cif/ Adding structures of 7037384, 7037385, 7037386, 7037387, 7037388, 7037389 via cif-deposit CGI script.	7037387.cif