Crystallography Open Database

Information card for entry 4068452

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Structure parameters

Formula	C14 H28 B Cl3 F4 N2 P Ru0.5
Calculated formula	C14 H28 B Cl3 F4 N2 P Ru0.5
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	10.9787 ± 0.0009 Å
b	17.9817 ± 0.0014 Å
c	11.5691 ± 0.0009 Å
α	90°
β	106.921 ± 0.001°
γ	90°
Cell volume	2185 ± 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	0.866
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
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4068452.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068452.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068452.cif
39773	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068451, 4068452, 4068453 via cif-deposit CGI script.	4068452.cif