Crystallography Open Database

Information card for entry 4069770

Preview

Coordinates	4069770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H47.9 Cl0.1 N O2 P3 Ru
Calculated formula	C35 H47.897 Cl0.103 N O2 P3 Ru
Title of publication	Formation of Stabletrans-Dihydride Ruthenium(II) and 16-Electron Ruthenium(0) Complexes Based on Phosphinite PONOP Pincer Ligands. Reactivity toward Water and Electrophiles
Authors of publication	Salem, Hiyam; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4791
a	18.1513 ± 0.0012 Å
b	19.3219 ± 0.0014 Å
c	21.2787 ± 0.0017 Å
α	90°
β	112.711 ± 0.003°
γ	90°
Cell volume	6884.2 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.0872
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4069770.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069770.cif
40439	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069769, 4069770, 4069771, 4069772, 4069773, 4069774, 4069775, 4069776 via cif-deposit CGI script.	4069770.cif