Crystallography Open Database

Information card for entry 7709979

Preview

Coordinates	7709979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H32 Cl4 N4 Ni O3
Calculated formula	C45 H32 Cl4 N4 Ni O3
SMILES	[Ni]123(Oc4c(Cl)cc(Cl)c5c4[n]1c(cc5)C)([n]1c(C)ccc4c1c(O2)c(Cl)cc4Cl)[n]1ccc(c2c1c1[n]3ccc(c1cc2)c1ccccc1)c1ccccc1.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	14.3136 ± 0.0003 Å
b	15.6216 ± 0.0003 Å
c	17.4536 ± 0.0004 Å
α	90°
β	96.765 ± 0.001°
γ	90°
Cell volume	3875.48 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7709979.cif