Crystallography Open Database

Information card for entry 7132051

7132050 << 7132051 >> 7132052

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Coordinates	7132051.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dimethylgallium norfloxate
Formula	C18 H23 F Ga N3 O3
Calculated formula	C18 H23 F Ga N3 O3
SMILES	[Ga]1(OC(=O)C2C(=[O]1)c1cc(F)c(N3CCNCC3)cc1N(C=2)CC)(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	8.7432 ± 0.0006 Å
b	9.9407 ± 0.0008 Å
c	10.8377 ± 0.0007 Å
α	94.228 ± 0.004°
β	100.666 ± 0.004°
γ	102.337 ± 0.004°
Cell volume	897.98 ± 0.11 Å³
Cell temperature	123 ± 2 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	0.0427
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7132051.cif