Crystallography Open Database

Information card for entry 7714929

Preview

Coordinates	7714929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cl Cu N2 O7
Calculated formula	C21 H15 Cl Cu N2 O7
SMILES	[Cu]12([O]=C3c4c(O1)cccc4C(=O)C(=C3)C)[n]1c(c3[n]2cccc3)cccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Discovery of mitochondrion-targeting copper(II)-plumbagin and -bipyridine complexes as chemodynamic therapy agents with enhanced antitumor activity.
Authors of publication	Zhang, Hai-Qun; Lu, Xing; Wu, Jiang-Lun; Ou, Mei-Quan; Chen, Nan-Feng; Liang, Hong; Chen, Zhen-Feng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	3244 - 3253
a	9.2985 ± 0.0005 Å
b	10.3543 ± 0.0007 Å
c	11.9616 ± 0.0007 Å
α	112.775 ± 0.006°
β	107.363 ± 0.005°
γ	93.359 ± 0.005°
Cell volume	993.44 ± 0.12 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0791
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
290194 (current)	2024-03-04	cif/ Updating files of 7714929, 7714930, 7714931, 7714932 Original log message: Adding full bibliography for 7714929--7714932.cif.	7714929.cif
288707	2024-01-06	cif/ Adding structures of 7714929, 7714930, 7714931, 7714932 via cif-deposit CGI script.	7714929.cif