Crystallography Open Database

Information card for entry 7132052

7132051 << 7132052 >> 7132053

Preview

Coordinates	7132052.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	gallium tris-naladixate
Formula	C38 H39 Ga N6 O10 S
Calculated formula	C38 H39 Ga N6 O10 S
SMILES	[Ga]123([O]=C4c5c(N(C=C4C(=O)O2)CC)nc(cc5)C)([O]=C2C(=CN(c4nc(ccc24)C)CC)C(=O)O1)OC(=O)C1C(=[O]3)c2c(N(C=1)CC)nc(cc2)C.S(=O)(C)C
Title of publication	Gallium reactivates 1st and 2nd generation quinolone antibiotics towards drug-resistantKlebsiella pneumoniae
Authors of publication	Sultana, Tania; Duffin, Rebekah. N.; Blair, Victoria L.; Andrews, Philip Craig
Journal of publication	Chemical Communications
Year of publication	2023
a	9.57906 ± 0.00015 Å
b	12.08921 ± 0.00018 Å
c	16.5051 ± 0.0002 Å
α	79.9703 ± 0.0012°
β	77.8647 ± 0.0013°
γ	86.5916 ± 0.0012°
Cell volume	1839.56 ± 0.05 Å³
Cell temperature	122.98 ± 0.1 K
Ambient diffraction temperature	123.15 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	0.0477
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285851 (current)	2023-08-24	cif/ Adding structures of 7132049, 7132050, 7132051, 7132052 via cif-deposit CGI script.	7132052.cif