Crystallography Open Database

Information card for entry 4121545

Preview

Coordinates	4121545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H49 P3 Ru
Calculated formula	C52 H49 P3 Ru
SMILES	[Ru]12345([P](c6c([P]1(c1ccccc1)c1ccccc1)cccc6)(c1ccccc1)c1ccccc1)(P(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)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	12.443 ± 0.0009 Å
b	14.9361 ± 0.0011 Å
c	22.3923 ± 0.0015 Å
α	90°
β	99.135 ± 0.003°
γ	90°
Cell volume	4108.8 ± 0.5 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4121545.cif
108229	2014-03-29	cif/ Adding structures of 4121541, 4121542, 4121543, 4121544, 4121545 via cif-deposit CGI script.	4121545.cif