Crystallography Open Database

Information card for entry 7063699

Preview

Coordinates	7063699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Cl3 N3 Ni O4 S
Calculated formula	C28 H22 Cl3 N3 Ni O4 S
Title of publication	Square planar mononuclear Ni(ii) complexes of functionalized 2,2′:6′,2′′-terpyridines: BSA/DNA binding and anticancer activity
Authors of publication	Panicker, Rakesh R.; John, Martin Luther; N., Daphne Morrison; Yogendra Varma, Pralayakaveri; S., Dharani; Pandya, Chayan; Anand, A. S. Vijai; Mondal, Joydip; Sivaramakrishna, Akella
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	14
Pages of publication	5883 - 5900
a	7.4934 ± 0.0011 Å
b	26.809 ± 0.004 Å
c	14.499 ± 0.002 Å
α	90°
β	92.652 ± 0.005°
γ	90°
Cell volume	2909.6 ± 0.7 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1393
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
299031 (current)	2025-04-05	cif/ Updating files of 7063699, 7063700 Original log message: Adding full bibliography for 7063699--7063700.cif.	7063699.cif
298491	2025-03-18	cif/ Adding structures of 7063699, 7063700 via cif-deposit CGI script.	7063699.cif