Crystallography Open Database

Information card for entry 7709781

Preview

Coordinates	7709781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Cl Co N4 O3
Calculated formula	C24 H23 Cl Co N4 O3
SMILES	[Co]123(Cl)(OC(=O)c4[n]2cccc4)[n]2c(C[N]1(c1ccccc1)Cc1[n]3cccc1)cccc2.O
Title of publication	Mononuclear Co(II) polypyridyl complexes: synthesis, molecular structure, DNA binding/cleavage, radical scavenging, docking studies and anticancer activities
Authors of publication	Karumban, Kalai Selvan; Muley, Arabinda; Raut, Rajnikant; Gupta, Parth; Giri, Bishnubasu; Kumbhakar, Sadananda; Misra, Ashish; Maji, Somnath
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.4536 ± 0.0005 Å
b	13.5852 ± 0.0005 Å
c	15.5748 ± 0.0007 Å
α	90°
β	108.507 ± 0.005°
γ	90°
Cell volume	2298.1 ± 0.18 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 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	0.0565
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273821 (current)	2022-03-19	cif/ Adding structures of 7709780, 7709781, 7709782, 7709783 via cif-deposit CGI script.	7709781.cif