Crystallography Open Database

Information card for entry 7217319

Preview

Coordinates	7217319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 Cu F2 N6 O17
Calculated formula	C34 H46 Cu F2 N6 O17
Title of publication	A rare dihydroxo copper(II) complex with ciprofloxacin; a combined experimental and ONIOM computational study of the interaction of the complex with DNA and BSA
Authors of publication	Farrokhpour, Hossein; Hadadzadeh, Hassan; Darabi, Farivash; Abyar, Fatemeh; Amiri Rudbari, Hadi; Ahmadi-Bagheri, Tahareh
Journal of publication	RSC Advances
Year of publication	2014
a	9.3756 ± 0.0004 Å
b	9.5789 ± 0.0005 Å
c	11.1998 ± 0.0005 Å
α	87.464 ± 0.002°
β	80.669 ± 0.002°
γ	86.225 ± 0.002°
Cell volume	989.79 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0387
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
180504 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/73.	7217319.cif
121121	2014-08-05	cif/ Adding structures of 7217319 via cif-deposit CGI script.	7217319.cif