Crystallography Open Database

Information card for entry 4068451

Preview

Coordinates	4068451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H33 B Cl F4 N4 P Ru
Calculated formula	C17 H33 B Cl F4 N4 P Ru
SMILES	[Ru](Cl)([P](C(C)C)(C(C)C)C(C)C)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-]
Title of publication	Water-Soluble Triisopropylphosphine Complexes of Ruthenium(II): Synthesis, Equilibria, and Acetonitrile Hydration
Authors of publication	Martín, Marta; Horváth, Henrietta; Sola, Eduardo; Kathó, Ágnes; Joó, Ferenc
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	561
a	14.1734 ± 0.0011 Å
b	11.8002 ± 0.0009 Å
c	16.4097 ± 0.0013 Å
α	90°
β	113.924 ± 0.001°
γ	90°
Cell volume	2508.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0669
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	0.726
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
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068451.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068451.cif
39773	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068451, 4068452, 4068453 via cif-deposit CGI script.	4068451.cif