Crystallography Open Database

Information card for entry 7709981

Preview

Coordinates	7709981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 N4 Ni O5
Calculated formula	C31 H24 N4 Ni O5
SMILES	[Ni]123(Oc4c5[n]3c(O)ccc5ccc4)(Oc3c4[n]1c(O)ccc4ccc3)[n]1cccc3c1c1[n]2cccc1cc3.OC
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	10.442 ± 0.002 Å
b	10.492 ± 0.002 Å
c	12.933 ± 0.002 Å
α	96.981 ± 0.006°
β	90.412 ± 0.006°
γ	107.475 ± 0.006°
Cell volume	1340.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7709981.cif