Crystallography Open Database

Information card for entry 4079407

Preview

Coordinates	4079407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H61 Cl2 N2 P Ru
Calculated formula	C60 H61 Cl2 N2 P Ru
SMILES	[Ru](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1C=C(c2ccccc12)c1ccccc1
Title of publication	Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr
Authors of publication	Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	18
Pages of publication	6514
a	12.4832 ± 0.0019 Å
b	19.696 ± 0.003 Å
c	20.977 ± 0.004 Å
α	90°
β	96.841 ± 0.003°
γ	90°
Cell volume	5120.9 ± 1.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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