Crystallography Open Database

Information card for entry 1519452

1519451 << 1519452 >> 1519453

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Coordinates	1519452.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	copper(II) complex of anthracene-9-imidazoline hydrazone
Chemical name	cis-[CuCl2(9-AIH)]
Formula	C20 H18 Cl2 Cu N4 O
Calculated formula	C20 H22 Cl2 Cu N4 O
SMILES	[Cu]1([N](NC2=[N]1CCN2)=Cc1c2ccccc2cc2ccccc12)(Cl)Cl.OCC
Title of publication	Synthesis and antitumor mechanisms of a copper(ii) complex of anthracene-9-imidazoline hydrazone (9-AIH).
Authors of publication	Qin, Qi-Pin; Liu, Yan-Cheng; Wang, Hai-Lu; Qin, Jiao-Lan; Cheng, Feng-Jie; Tang, Shang-Feng; Liang, Hong
Journal of publication	Metallomics : integrated biometal science
Year of publication	2015
Journal volume	7
Journal issue	7
Pages of publication	1124 - 1136
a	11.3306 ± 0.0003 Å
b	14.0417 ± 0.0003 Å
c	13.3887 ± 0.0005 Å
α	90°
β	106.842 ± 0.004°
γ	90°
Cell volume	2038.79 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0563
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
143718 (current)	2015-07-11	cif/ Updating files of 1519452 Original log message: Adding full bibliography for 1519452.cif.	1519452.cif
135953	2015-05-09	cif/ Adding structures of 1519452 via cif-deposit CGI script.	1519452.cif