Crystallography Open Database

Information card for entry 7712348

Preview

Coordinates	7712348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 F6 I N8 P Ru
Calculated formula	C22 H22 F6 I N8 P Ru
SMILES	I[Ru]123([n]4c(N5C=1N(C)C=C5)cccc4N1C=2N(C=C1)C)[n]1c(N2C=CN(C)C=32)cccc1.[P](F)(F)(F)(F)(F)[F-]
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	15.0771 ± 0.0005 Å
b	10.9379 ± 0.0005 Å
c	16.8084 ± 0.0006 Å
α	90°
β	104.553 ± 0.004°
γ	90°
Cell volume	2682.97 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1579
Residual factor for significantly intense reflections	0.1166
Weighted residual factors for significantly intense reflections	0.3174
Weighted residual factors for all reflections included in the refinement	0.369
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7712348.cif