Crystallography Open Database

Information card for entry 7709975

Preview

Coordinates	7709975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H22 Cl4 N4 Ni O3.5
Calculated formula	C31.5 H22 Cl4 N4 Ni O3.5
SMILES	[Ni]123(Oc4c(Cl)cc(Cl)c5ccc[n]1c45)(Oc1c(Cl)cc(Cl)c4ccc[n]3c14)[n]1cccc3ccc4c([n]2ccc4)c13.OC.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	12.6484 ± 0.0008 Å
b	20.5153 ± 0.0015 Å
c	23.4843 ± 0.0017 Å
α	98.674 ± 0.003°
β	92.536 ± 0.002°
γ	95.017 ± 0.002°
Cell volume	5990.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
295862 (current)	2024-11-09	cif/7: Fixing Z values and formulae	7709975.cif
274459	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.	7709975.cif