Crystallography Open Database

Information card for entry 7064387

Preview

Coordinates	7064387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Cl N4 Ni O7.5
Calculated formula	C34 H36 Cl N4 Ni O7.5
Title of publication	Nickel(II)-Flavonolate Complexes of Tetradentate 4N Donor Ligands as Enzyme-Substrate Models of Quercetin-2,4-Dioxygenase: Role of Ligand Steric and Electronic Properties on Dioxygenolysis
Authors of publication	Devaraj , Karthickram; Bhuvanesh, Nattamai; Sundaravel, Karuppasamy
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	8.7243 ± 0.0003 Å
b	13.6695 ± 0.0004 Å
c	13.6886 ± 0.0005 Å
α	85.014 ± 0.003°
β	79.917 ± 0.003°
γ	87.367 ± 0.003°
Cell volume	1600.38 ± 0.09 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0781
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
305650 (current)	2026-04-29	cif/ Adding structures of 7064387, 7064388, 7064389 via cif-deposit CGI script.	7064387.cif