Crystallography Open Database

Information card for entry 7709971

Preview

Coordinates	7709971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 I4 N4 Ni O2
Calculated formula	C42 H24 I4 N4 Ni O2
SMILES	Ic1c2O[Ni]34(Oc5c6[n]3cccc6c(I)cc5I)([n]3c5c6[n]4ccc(c6ccc5c(cc3)c3ccccc3)c3ccccc3)[n]3c2c(c(I)c1)ccc3
Title of publication	A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways
Authors of publication	Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.0868 ± 0.0003 Å
b	23.1713 ± 0.0008 Å
c	15.8154 ± 0.0005 Å
α	90°
β	107.868 ± 0.001°
γ	90°
Cell volume	3866.9 ± 0.2 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	0.0755
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
274459 (current)	2022-04-12	cif/ Adding structures of 7709968, 7709969, 7709970, 7709971, 7709972, 7709973, 7709974, 7709975, 7709976, 7709977, 7709978, 7709979, 7709980, 7709981, 7709982, 7709983, 7709984, 7709985, 7709986, 7709987, 7709988, 7709989 via cif-deposit CGI script.	7709971.cif