Crystallography Open Database

Information card for entry 7708126

Preview

Coordinates	7708126.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(L5)Cl](PF6)
Formula	C25 H33 Cl Cu F6 N7 P
Calculated formula	C25 H33 Cl Cu F6 N7 P
SMILES	[Cu]123([N](CCn4c(cc([n]14)C)C)(CCn1[n]2c(cc1C)C)Cn1[n]3c(cc1c1ccccc1)C)Cl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Identification of potent anticancer copper(II) complexes containing tripodal bis[2-ethyl-di(3,5-dialkyl-1<i>H</i>-pyrazol-1-yl)]amine moiety.
Authors of publication	Massoud, Salah S.; Louka, Febee R.; Dial, Madison T.; Malek, Andrew J.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Malina, Tomáš; Dvořák, Zdeněk; Trávníček, Zdeněk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	33
Pages of publication	11521 - 11534
a	10.575 ± 0.0006 Å
b	12.4521 ± 0.0007 Å
c	13.0589 ± 0.0008 Å
α	69.599 ± 0.003°
β	68.263 ± 0.003°
γ	71.979 ± 0.003°
Cell volume	1464.7 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0875
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
268191 (current)	2021-08-25	cif/ Adding structures of 7708124, 7708125, 7708126, 7708127 via cif-deposit CGI script.	7708126.cif