Crystallography Open Database

Information card for entry 7716650

Preview

Coordinates	7716650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H74.41 N6 Ni O6.2
Calculated formula	C56 H74.41 N6 Ni O6.205
Title of publication	Effect of substituents on the ability of nickel Schiff base complexes with four pendant groups to bind to G-quadruplexes.
Authors of publication	Assadawi, Nawal; Ferderer, Myles; Kusi-Appauh, Nicholas; Yu, Haibo; Dillon, Carolyn T.; Sluyter, Ronald; Richardson, Christopher; Ralph, Stephen F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	30
Pages of publication	12720 - 12739
a	10.7829 ± 0.0003 Å
b	21.9025 ± 0.0005 Å
c	22.2389 ± 0.0005 Å
α	90°
β	99.678 ± 0.003°
γ	90°
Cell volume	5177.5 ± 0.2 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
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	0.1032
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293871 (current)	2024-08-05	cif/ Updating files of 7716650, 7716651 Original log message: Adding full bibliography for 7716650--7716651.cif.	7716650.cif
293449	2024-07-18	cif/ Adding structures of 7716650, 7716651 via cif-deposit CGI script.	7716650.cif