Crystallography Open Database

Information card for entry 4111882

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Coordinates	4111882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H55 N P3 Rh
Calculated formula	C31 H55 N P3 Rh
SMILES	[Rh]([P](CC)(CC)CC)([P](CC)(CC)CC)([P](CC)(CC)CC)N=C(c1ccccc1)c1ccccc1
Title of publication	β-Aryl Eliminations from Rh(I) Iminyl Complexes
Authors of publication	Pinjing Zhao; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	11618 - 11619
a	9.5286 ± 0.0019 Å
b	10.633 ± 0.002 Å
c	17.145 ± 0.003 Å
α	96.04 ± 0.03°
β	93.62 ± 0.03°
γ	105.2 ± 0.03°
Cell volume	1659.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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