Crystallography Open Database

Information card for entry 4104390

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Coordinates	4104390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H55 N2 P Ru
Calculated formula	C35 H56 N2 P Ru
Title of publication	N-Heterocyclic Carbene-Functionalized Ruthenium Phosphinidenes: What a Difference a Twist Makes
Authors of publication	Halil Aktas; J. Chris Slootweg; Marius Schakel; Andreas W. Ehlers; Martin Lutz; Anthony L. Spek; Koop Lammertsma
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6666 - 6667
a	18.9145 ± 0.0007 Å
b	17.2265 ± 0.0005 Å
c	10.4262 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3397.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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