Crystallography Open Database

Information card for entry 7709988

Preview

Coordinates	7709988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H36 Cl2 I2 N4 Ni O3
Calculated formula	C37 H36 Cl2 I2 N4 Ni O3
SMILES	Ic1c2O[Ni]34(Oc5c(I)cc(Cl)c6c5[n]3ccc6)([n]3c2c(ccc3)c(Cl)c1)[n]1ccc(cc1c1[n]4ccc(c1)C(C)(C)C)C(C)(C)C.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	27.0578 ± 0.0007 Å
b	11.1058 ± 0.0003 Å
c	24.735 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7432.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.228
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.	7709988.cif