Crystallography Open Database

Information card for entry 2207713

2207712 << 2207713 >> 2207714

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Structure parameters

Chemical name	Tetra-n-butylammonium tetrakis(pentafluorophenyl)borate
Formula	C40 H36 B F20 N
Calculated formula	C40 H36 B F20 N
SMILES	[N+](CCCC)(CCCC)(CCCC)CCCC.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Tetra-<i>n</i>-butylammonium tetrakis(pentafluorophenyl)borate
Authors of publication	Schödel, Frauke; Lerner, Hans-Wolfram; Bru Roig, Miriam; Bolte, Michael
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	1
Pages of publication	o372 - o373
a	24.104 ± 0.002 Å
b	12.8925 ± 0.0012 Å
c	17.5363 ± 0.0015 Å
α	90°
β	130.629 ± 0.005°
γ	90°
Cell volume	4135.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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