Crystallography Open Database

Information card for entry 7700566

Preview

Coordinates	7700566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 Cl12 Cu8 N20 O4
Calculated formula	C68 H48 Cl12 Cu8 N20 O4
SMILES	C12c3cccc[n]3[Cu]3([N]=1[N]1=C(c4cccc[n]4[Cu]1(O2)([Cl][Cu]12([N]4=C(c5cccc[n]25)O[Cu]2([N]4=C(c4cccc[n]24)c2cccc[n]12)(Cl)Cl)Cl)Cl)c1cccc[n]31)Cl
Title of publication	Cu(ii) complexes of N-rich aroylhydrazone: magnetism and catalytic activity towards microwave-assisted oxidation of xylenes.
Authors of publication	Sutradhar, Manas; Roy Barman, Tannistha; Alegria, Elisabete C. B. A.; Guedes da Silva, M Fátima C; Liu, Cai-Ming; Kou, Hui-Zhong; Pombeiro, Armando J. L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	34
Pages of publication	12839 - 12849
a	18.152 ± 0.002 Å
b	12.223 ± 0.002 Å
c	18.826 ± 0.003 Å
α	90°
β	90.086 ± 0.004°
γ	90°
Cell volume	4177 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1194
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.2278
Weighted residual factors for all reflections included in the refinement	0.2433
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
224524 (current)	2019-11-08	cif/ Updating files of 7700564, 7700565, 7700566 Original log message: Adding full bibliography for 7700564--7700566.cif.	7700566.cif
217049	2019-07-16	cif/ Adding structures of 7700564, 7700565, 7700566 via cif-deposit CGI script.	7700566.cif