Crystallography Open Database

Information card for entry 7708124

Preview

Coordinates	7708124.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(L1)Cl](ClO4)(MeOH)0.5
Formula	C43 H64 Cl4 Cu2 N12 O9
Calculated formula	C43 H64 Cl4 Cu2 N12 O9
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	10.9839 ± 0.0004 Å
b	12.3595 ± 0.0005 Å
c	12.5141 ± 0.0005 Å
α	115.69 ± 0.002°
β	108.072 ± 0.002°
γ	100.254 ± 0.002°
Cell volume	1355.13 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0708
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
268191 (current)	2021-08-25	cif/ Adding structures of 7708124, 7708125, 7708126, 7708127 via cif-deposit CGI script.	7708124.cif