Crystallography Open Database

Information card for entry 7711687

Preview

Coordinates	7711687.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Webb/SM-105 [(cymene)RuCl(NN)][PF6].acetone
Formula	C25 H30 Cl F6 N2 O P Ru
Calculated formula	C25 H30 Cl F6 N2 O P Ru
Title of publication	A Ru(ii)-arene-ferrocene complex with promising antibacterial activity
Authors of publication	Mensah, Stephen; Rosenthal, Joseph D.; Dagar, Mamta; Brown, Tyson; Mills, Jonathan J.; Hamaker, Christopher G.; Ferrence, Gregory M.; Webb, Michael I.
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.1814 ± 0.0008 Å
b	12.3291 ± 0.0011 Å
c	12.6542 ± 0.0012 Å
α	76.919 ± 0.005°
β	73.108 ± 0.005°
γ	87.998 ± 0.005°
Cell volume	1334.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
278946 (current)	2022-11-05	cif/ Adding structures of 7711686, 7711687 via cif-deposit CGI script.	7711687.cif