Crystallography Open Database

Information card for entry 4066662

Preview

Coordinates	4066662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H3 B F12
Calculated formula	C18 H3 B F12
SMILES	B(c1c(c(F)cc(c1F)F)F)(c1c(F)c(F)cc(c1F)F)c1c(c(cc(c1F)F)F)F
Title of publication	Dihydrogen Activation by B(p-C6F4H)3and Phosphines
Authors of publication	Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	16
Pages of publication	3647
a	8.9262 ± 0.0004 Å
b	17.7039 ± 0.0009 Å
c	10.453 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1651.87 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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