Crystallography Open Database

Information card for entry 4106772

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Structure parameters

Formula	C18 B Cl10 F5
Calculated formula	C18 B Cl10 F5
SMILES	B(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)
Authors of publication	Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14727 - 14740
a	9.6279 ± 0.0001 Å
b	11.0451 ± 0.0002 Å
c	12.3145 ± 0.0003 Å
α	69.503 ± 0.0007°
β	85.059 ± 0.0007°
γ	70.2181 ± 0.0011°
Cell volume	1153.47 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for all reflections	0.1251
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	0.9498
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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