Crystallography Open Database

Information card for entry 4108379

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Structure parameters

Formula	C20 H18 B F10 P
Calculated formula	C20 H18 B F10 P
SMILES	P(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C(C)(C)C)C(C)(C)C
Title of publication	Activation of H2 by Phosphinoboranes R2PB(C6F5)2
Authors of publication	Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12632 - 12633
a	12.194 ± 0.009 Å
b	18.331 ± 0.013 Å
c	19.774 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	4420 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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