Crystallography Open Database

Information card for entry 7721146

Preview

Coordinates	7721146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H17 Cl4 N2 O Re
Calculated formula	C16.5 H17 Cl4 N2 O Re
Title of publication	Strain-Specific Synergy: An Oxo-Rhenium(V) Complex Potentiates Antibiotic Efficacy in Staphylococcus aureus strains
Authors of publication	Demirci, Gozde; Cortat, Youri; Crochet, Aurelien; Calia, Emanuele; Sprecher, Simon G.; Zobi, Fabio
Journal of publication	Dalton Transactions
Year of publication	2026
a	10.5081 ± 0.0003 Å
b	13.6592 ± 0.0003 Å
c	14.2904 ± 0.0004 Å
α	90°
β	94.129 ± 0.002°
γ	90°
Cell volume	2045.81 ± 0.09 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.0424
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7721146.html