Crystallography Open Database

Information card for entry 7712347

Preview

Coordinates	7712347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.5 H14.25 Cl3 N4.75 Ru
Calculated formula	C11 H12 Cl3 N4 Ru
SMILES	[Ru]1(Cl)(Cl)(Cl)([N]#CC)[n]2c(N3C=1N(C=C3)C)cccc2
Title of publication	Base-free synthesis of benchtop stable Ru(III)-NHC complexes from RuCl3·3H2O and their use as precursors for Ru(II)-NHC complexes
Authors of publication	Shahid, Nida; Singh, Rahul Kumar; Srivastava, Navdeep; Singh, Amrendra Kumar
Journal of publication	Dalton Transactions
Year of publication	2023
a	8.1527 ± 0.0005 Å
b	17.746 ± 0.0014 Å
c	12.1658 ± 0.0007 Å
α	90°
β	104.622 ± 0.007°
γ	90°
Cell volume	1703.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0988
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
281081 (current)	2023-02-22	cif/ Adding structures of 7712346, 7712347, 7712348, 7712349 via cif-deposit CGI script.	7712347.cif