Crystallography Open Database

Information card for entry 7709983

Preview

Coordinates	7709983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 Cl4 N4 Ni O4
Calculated formula	C46 H36 Cl4 N4 Ni O4
SMILES	[Ni]123(Oc4c5[n]1cccc5c(Cl)cc4Cl)(Oc1c(Cl)cc(Cl)c4c1[n]3ccc4)[n]1c3c4[n]2c(cc(c2ccccc2)c4ccc3c(cc1C)c1ccccc1)C.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	19.1813 ± 0.0008 Å
b	15.3203 ± 0.0007 Å
c	14.7737 ± 0.0005 Å
α	90°
β	110.76 ± 0.0017°
γ	90°
Cell volume	4059.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.07
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	7709983.cif