Crystallography Open Database

Information card for entry 4069671

Preview

Coordinates	4069671.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ru-benzyl
Formula	C24 H39 P Ru
Calculated formula	C24 H39 P Ru
SMILES	[Ru]123456([P](C(C)C)(C(C)C)C)([c]7([c]2(C)[c]5([c]4([c]17C)C)C)C)[C]1(=CC=CC=[CH]31)C6
Title of publication	Synthesis, Structure, and Reactivity of Neutral Hydrogen-Substituted Ruthenium Silylene and Germylene Complexes
Authors of publication	Hayes, Paul G.; Waterman, Rory; Glaser, Paul B.; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5082
a	8.9294 ± 0.0011 Å
b	12.6172 ± 0.0016 Å
c	10.8903 ± 0.0014 Å
α	90°
β	112.285 ± 0.002°
γ	90°
Cell volume	1135.3 ± 0.2 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
178585 (current)	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 4/06/96.	4069671.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069671.cif
40383	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069671, 4069672, 4069673, 4069674, 4069675 via cif-deposit CGI script.	4069671.cif