Crystallography Open Database

Information card for entry 4079406

Preview

Coordinates	4079406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H71 Cl2 N3 Ru
Calculated formula	C89 H71 Cl2 N3 Ru
SMILES	[Ru](Cl)(Cl)([n]1ccccc1)(=C1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)=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	44.082 ± 0.005 Å
b	44.082 ± 0.005 Å
c	22.826 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	38413 ± 8 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.3644
Goodness-of-fit parameter for all reflections included in the refinement	1.229
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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