Crystallography Open Database

Information card for entry 7063344

Preview

Coordinates	7063344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 N8 Ni O12
Calculated formula	C50 H58 N8 Ni O12
Title of publication	A novel Ni-based complex inducing apoptosis through mitochondrial dysfunction in osteosarcoma HOS cells
Authors of publication	Liu, Xiao-Dong; Liu, Pei-Xin; Zhang, Zhong; Li, Li-Long; Luan, Jian; Qin, Yi
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	30
Pages of publication	13602 - 13608
a	10.1444 ± 0.0004 Å
b	11.2352 ± 0.0004 Å
c	11.9339 ± 0.0004 Å
α	78.792 ± 0.001°
β	74.318 ± 0.001°
γ	71.436 ± 0.001°
Cell volume	1232.62 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
293915 (current)	2024-08-05	cif/ Updating files of 7063344 Original log message: Adding full bibliography for 7063344.cif.	7063344.cif
293379	2024-07-12	cif/ Adding structures of 7063344 via cif-deposit CGI script.	7063344.cif