Crystallography Open Database

Information card for entry 4104589

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Coordinates	4104589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.5 H27 Al Cl F15 P
Calculated formula	C47.5 H27 Al Cl F15 P
Title of publication	Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs
Authors of publication	Meghan A. Dureen; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	8396 - 8397
a	11.7981 ± 0.0003 Å
b	12.7991 ± 0.0004 Å
c	15.8684 ± 0.0004 Å
α	90.497 ± 0.001°
β	99.745 ± 0.001°
γ	115.519 ± 0.001°
Cell volume	2122.25 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0554
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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