Crystallography Open Database

Information card for entry 4079241

Preview

Coordinates	4079241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H61 Cl F6 P4 Ru
Calculated formula	C54.5 H61 Cl F6 P4 Ru
Title of publication	Flexible Syntheses of Tripodal Phosphine Ligands 1,1,2-Tris(diarylphosphino)ethane and Their Ruthenium η5-C5Me5Complexes
Authors of publication	Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	18
Pages of publication	6589
a	23.246 ± 0.003 Å
b	11.5646 ± 0.0014 Å
c	39.062 ± 0.005 Å
α	90°
β	105.917 ± 0.002°
γ	90°
Cell volume	10098 ± 2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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