Crystallography Open Database

Information card for entry 7000575

Preview

Structure parameters

Formula	C18 H5 B F10
Calculated formula	C18 H5 B F10
SMILES	B(c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Reactions of phosphines with electron deficient boranes
Authors of publication	Welch, Gregory C.; Prieto, Roberto; Dureen, Meghan A.; Lough, Alan J.; Labeodan, Oijsamola A.; Höltrichter-Rössmann, Thorsten; Stephan, Douglas W.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	9
Pages of publication	1559 - 1570
a	10.6539 ± 0.0013 Å
b	16.736 ± 0.002 Å
c	19.095 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3404.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1022
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7000575.html