Crystallography Open Database

Information card for entry 4119708

4119707 << 4119708 >> 4119709

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Coordinates	4119708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H34 Al2 F30 O P
Calculated formula	C63 H34 Al2 F30 O P
Title of publication	C-H Bond Activation by Radical Ion Pairs Derived from R3P/Al(C6F5)3 Frustrated Lewis Pairs and N2O
Authors of publication	Gabriel Ménard; Jillian A. Hatnean; Hugh J. Cowley; Alan J. Lough; Jeremy M. Rawson; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	6446 - 6449
a	11.6291 ± 0.0004 Å
b	16.9162 ± 0.0005 Å
c	17.4333 ± 0.0005 Å
α	85.883 ± 0.002°
β	81.665 ± 0.002°
γ	75.891 ± 0.002°
Cell volume	3288.52 ± 0.18 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1196
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2209
Weighted residual factors for all reflections included in the refinement	0.2409
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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