Crystallography Open Database

Information card for entry 7222136

Preview

Coordinates	7222136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H46 Cl2 Cu F I N6 O3 P
Calculated formula	C47 H46 Cl2 Cu F I N6 O3 P
SMILES	[Cu]1(I)([P](CN2CCN(CC2)c2c(F)cc3c(c2)n(cc(c3=O)C(=O)O)C2CC2)(c2ccccc2)c2ccccc2)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C.C(Cl)Cl.CC#N
Title of publication	Coordination versatility of phosphine derivatives of fluoroquinolones. New Cu(I) and Cu(II) complexes and their interactions with DNA.
Authors of publication	Bykowska, Aleksandra; Starosta, Radosław; Jezierska, Julia; Jezowska-Bojczuk, Malgorzata
Journal of publication	RSC Adv.
Year of publication	2015
a	11.722 ± 0.001 Å
b	13.245 ± 0.002 Å
c	15.234 ± 0.002 Å
α	101.43 ± 0.02°
β	99.33 ± 0.01°
γ	94.55 ± 0.01°
Cell volume	2272.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1515
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	0.867
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
156320 (current)	2015-09-15	cif/ Adding structures of 7222135, 7222136 via cif-deposit CGI script.	7222136.cif