Crystallography Open Database

Information card for entry 7714425

Preview

Coordinates	7714425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 Cl F3 N3 O6 Ru S4
Calculated formula	C16 H27 Cl F3 N3 O6 Ru S4
SMILES	[Ru]1(Cl)([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)[n]2n(C(=[NH]1)C)c1c(c2)cccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	1,2-Azolylamidino ruthenium(II) complexes with DMSO ligands: electro- and photocatalysts for CO<sub>2</sub> reduction.
Authors of publication	Jennings, Murphy; Cuéllar, Elena; Rojo, Ariadna; Ferrero, Sergio; García-Herbosa, Gabriel; Nganga, John; Angeles-Boza, Alfredo M; Martín-Alvarez, Jose M; Miguel, Daniel; Villafañe, Fernando
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	8.139 ± 0.006 Å
b	13.115 ± 0.008 Å
c	24.022 ± 0.008 Å
α	90°
β	95.12 ± 0.05°
γ	90°
Cell volume	2554 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	8
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	0.0539
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
287482 (current)	2023-11-08	cif/ Adding structures of 7714425, 7714426 via cif-deposit CGI script.	7714425.cif