Crystallography Open Database

Information card for entry 8107120

Preview

Coordinates	8107120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H60 Cd2 F2 N6 O19
Calculated formula	C62 H60 Cd2 F2 N6 O19
Title of publication	Crystal structure of aqua(μ2-biphenyl-2,2′-dicarboxylato-κ3 O,O′:O′′)-(μ2-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)cadmium(II) 1.5 hydrate, C62H60N6Cd2O19F2
Authors of publication	Zhu, Ling; Hu, Yong-Jun; An, Zhe; Zhou, Tian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1123 - 1125
a	9.749 ± 0.004 Å
b	12.884 ± 0.005 Å
c	13.869 ± 0.005 Å
α	70.103 ± 0.004°
β	80.201 ± 0.004°
γ	68.648 ± 0.004°
Cell volume	1523.5 ± 1 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	0.0629
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
282941 (current)	2023-05-02	cif/ Adding structures of 8107120 via cif-deposit CGI script.	8107120.cif