Crystallography Open Database

Information card for entry 7219969

7219968 << 7219969 >> 7219970

Preview

Coordinates	7219969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 Cl2 N7 Ni O5
Calculated formula	C34 H31 Cl2 N7 Ni O5
SMILES	[Ni]123(Cl)([n]4cccc5c4c4[n]1cccc4c1nccnc51)[n]1ccccc1C[N]2(Cc1[n]3cccc1)c1ccc(C)cc1.Cl(=O)(=O)(=O)[O-].OC
Title of publication	Four related Mixed-Ligand Nickel(II) Complexes: Effect of Steric Encumbrance on the Structure, DNA/BSA binding, DNA cleavage and Cytotoxicity
Authors of publication	Gao, Chun-Yan; Ma, Zhong-Ying; Zhang, Yong-Po; Li, Si-Tong; Gu, Wen; Liu, Xin; Tian, Jin-Lei; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping
Journal of publication	RSC Adv.
Year of publication	2015
a	7.542 ± 0.0015 Å
b	11.202 ± 0.002 Å
c	19.311 ± 0.004 Å
α	97.04 ± 0.03°
β	90.51 ± 0.03°
γ	90.79 ± 0.03°
Cell volume	1619 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1155
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
180530 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99.	7219969.cif
134236	2015-03-21	cif/ Adding structures of 7219967, 7219968, 7219969, 7219970 via cif-deposit CGI script.	7219969.cif