Crystallography Open Database

Information card for entry 4344847

Preview

Coordinates	4344847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 Cl I7 N4 Ru
Calculated formula	C20 H36 Cl I7 N4 Ru
SMILES	C(#[N]C(C)(C)C)[Ru]([I][I]I)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)Cl.II.II
Title of publication	Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.
Authors of publication	Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	55
Journal issue	1
Pages of publication	283
a	22.735 ± 0.003 Å
b	14.945 ± 0.002 Å
c	11.6353 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3953.4 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.159
Residual factor for significantly intense reflections	0.1302
Weighted residual factors for significantly intense reflections	0.3223
Weighted residual factors for all reflections included in the refinement	0.3422
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
175669 (current)	2016-02-04	cif/ Adding structures of 4344844, 4344845, 4344846, 4344847 via cif-deposit CGI script.	4344847.cif