Crystallography Open Database

Information card for entry 7042909

Preview

Coordinates	7042909.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cis-dichloro(N-[4-(hydroxyphenyl)methyl]-2-pyridinemethamino)copper
Formula	C56 H62 Cl8 Cu4 N10 O4
Calculated formula	C56 H62 Cl8 Cu4 N10 O4
SMILES	c1cccc2C[NH](Cc3ccc(O)cc3)[Cu]([n]12)(Cl)(Cl)[N]#CC.Oc1ccc(C[NH]2[Cu]3(Cl)([Cl][Cu]4(Cl)([Cl]3)[n]3ccccc3C[NH]4Cc3ccc(O)cc3)[n]3ccccc3C2)cc1.c1cccc2C[NH](Cc3ccc(O)cc3)[Cu]([n]12)(Cl)(Cl)[N]#CC
Title of publication	Glycosylated metal chelators as anti-parasitic agents with tunable selectivity.
Authors of publication	Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	16
Pages of publication	5297 - 5307
a	11.9914 ± 0.0006 Å
b	12.6755 ± 0.0006 Å
c	12.696 ± 0.0006 Å
α	113.998 ± 0.001°
β	96.58 ± 0.001°
γ	115.347 ± 0.001°
Cell volume	1492.65 ± 0.13 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	0.0292
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
196244 (current)	2017-05-05	cif/ Adding structures of 7042907, 7042908, 7042909, 7042910 via cif-deposit CGI script.	7042909.cif