Crystallography Open Database

Information card for entry 4068453

Preview

Structure parameters

Formula	C17 H35 B2 F8 N4 O P Ru
Calculated formula	C17 H35 B2 F8 N4 O P Ru
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	9.7534 ± 0.0005 Å
b	15.2583 ± 0.0008 Å
c	18.3284 ± 0.001 Å
α	90°
β	95.907 ± 0.001°
γ	90°
Cell volume	2713.2 ± 0.2 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	0.0958
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	0.874
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4068453.cif
178574	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.	4068453.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068453.cif
39773	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068451, 4068452, 4068453 via cif-deposit CGI script.	4068453.cif