Crystallography Open Database

Information card for entry 1559689

Preview

Coordinates	1559689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H56.67 Cu F2 N6 O13.34
Calculated formula	C38 H56.6666 Cu F2 N6 O13.3333
Title of publication	Structural characterization and pharmacological assessment <i>in vitro</i>/<i>in vivo</i> of a new copper(II)-based derivative of enrofloxacin.
Authors of publication	Guo, Rui-Feng; Yan, Hou-Tian; Liu, Rui-Xue; Li, Hong-Chang; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong
Journal of publication	Metallomics : integrated biometal science
Year of publication	2020
Journal volume	12
Journal issue	12
Pages of publication	2145 - 2160
a	12.151 ± 0.007 Å
b	13.362 ± 0.008 Å
c	16.11 ± 0.01 Å
α	111.747 ± 0.01°
β	92.86 ± 0.01°
γ	113.294 ± 0.009°
Cell volume	2172 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1047
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1573
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
260800 (current)	2021-01-07	cif/ Updating files of 1559689 Original log message: Adding full bibliography for 1559689.cif.	1559689.cif
259414	2020-12-01	cif/ Adding structures of 1559689 via cif-deposit CGI script.	1559689.cif