Crystallography Open Database

Information card for entry 7111995

7111994 << 7111995 >> 7111996

Preview

Coordinates	7111995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H58 P2 Ru
Calculated formula	C39 H58 P2 Ru
SMILES	[RuH]1234([P]5(C6CCCC5CCC6)CC(C)C)([P]5(C6CCCC5CCC6)CC(C)C)[cH]5[cH]1[c]2([c]13cccc[c]451)c1ccccc1
Title of publication	From ruthenium olefin metathesis catalyst to (eta^5^-3-phenylindenyl)hydrido complex via alcoholysis
Authors of publication	Simone Manzini; David J. Nelson; Tomas Lebl; Albert Poater; Luigi Cavallo; Alexandra M. Z. Slawin; Steven P. Nolan
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2205
a	9.4786 ± 0.0004 Å
b	19.3191 ± 0.0009 Å
c	19.1591 ± 0.0014 Å
α	90°
β	100.019 ± 0.007°
γ	90°
Cell volume	3454.9 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180233 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/19.	7111995.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111995.cif
103203	2014-02-27	cif/ Adding structures of 7111995 via cif-deposit CGI script.	7111995.cif