Crystallography Open Database

Information card for entry 4121543

Preview

Coordinates	4121543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H59 P3 Ru
Calculated formula	C57 H59 P3 Ru
SMILES	[Ru]12345([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C)(P(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.c1(ccccc1)C
Title of publication	Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.
Authors of publication	Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	12
Pages of publication	4746 - 4760
a	11.4403 ± 0.0003 Å
b	12.2847 ± 0.0003 Å
c	17.925 ± 0.0005 Å
α	79.857 ± 0.002°
β	81.905 ± 0.002°
γ	73.982 ± 0.002°
Cell volume	2372.19 ± 0.11 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121543.cif
108229	2014-03-29	cif/ Adding structures of 4121541, 4121542, 4121543, 4121544, 4121545 via cif-deposit CGI script.	4121543.cif