Crystallography Open Database

Information card for entry 7132049

7132048 << 7132049 >> 7132050

Preview

Coordinates	7132049.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dimethylgallium naladixate
Formula	C14 H17 Ga N2 O3
Calculated formula	C14 H17 Ga N2 O3
SMILES	[Ga]1([O]=C2c3c(N(C=C2C(=O)O1)CC)nc(cc3)C)(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	8.0986 ± 0.0006 Å
b	8.7121 ± 0.0007 Å
c	10.8649 ± 0.0008 Å
α	77.168 ± 0.004°
β	80.358 ± 0.004°
γ	70.566 ± 0.004°
Cell volume	701.19 ± 0.09 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
285851 (current)	2023-08-24	cif/ Adding structures of 7132049, 7132050, 7132051, 7132052 via cif-deposit CGI script.	7132049.cif