Crystallography Open Database

Information card for entry 4069769

Preview

Coordinates	4069769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 Cl N O3 P2 Ru
Calculated formula	C18 H32 Cl N O3 P2 Ru
SMILES	[RuH]12(Cl)([P](Oc3[n]2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)C#[O]
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	16.303 ± 0.003 Å
b	15.896 ± 0.003 Å
c	18.185 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4712.7 ± 1.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4069769.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069769.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.	4069769.cif