Crystallography Open Database

Information card for entry 7220117

7220116 << 7220117 >> 7220118

Preview

Coordinates	7220117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H72 N3 Ni4 O25
Calculated formula	C39 H75 N3 Ni4 O25
SMILES	C1c2cccc(c2O[Ni]234([N]=1C1(C[O]52[Ni]267([OH]CC8([N]9=Cc%10cccc(c%10O[Ni]59%10([O]3[Ni]35(Oc9c(C=[N]3C(C[O]425)(CC)C[OH]6)cccc9OC)([OH2])[O]7%10C8)[OH2])OC)CC)[OH]C1)CC)[OH2])OC.O.O.O.O.O.O.O.O.O
Title of publication	DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions
Authors of publication	Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna
Journal of publication	RSC Adv.
Year of publication	2015
a	23.45 ± 0.0017 Å
b	23.45 ± 0.0017 Å
c	23.45 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	12895.2 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.1636
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.1873
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
135725 (current)	2015-05-08	cif/ Adding structures of 7220115, 7220116, 7220117, 7220118 via cif-deposit CGI script.	7220117.cif