Crystallography Open Database

Information card for entry 8107150

Preview

Coordinates	8107150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Cu F2 N8 O12
Calculated formula	C38 H42 Cu F2 N8 O12
Title of publication	Crystal structure of bis(1-ethyl-6-fluoro-4-oxido-7-(piperazin-1-ium-1-yl)-1,8-naphthyridin-1-ium-3-carboxylate-κ2 O,O′)copper(II) benzene-1, 4-dicarboxylate dihydrate, C38H42F2CuN8O12
Authors of publication	Cui, Kuo; Wang, Liang-Liang; Zhang, Wen-Wei; Liu, Fu-Xin; Zhang, Wen-Jun; Fan, Zhuo-Wen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1219 - 1220
a	5.4709 ± 0.0002 Å
b	10.41 ± 0.0004 Å
c	17.3373 ± 0.0006 Å
α	95.014 ± 0.002°
β	92.041 ± 0.002°
γ	103.223 ± 0.002°
Cell volume	955.96 ± 0.06 Å³
Cell temperature	296 ± 2 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	0.0413
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
283623 (current)	2023-05-09	cif/ Adding structures of 8107150 via cif-deposit CGI script.	8107150.cif