Crystallography Open Database

Information card for entry 4303429

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Structure parameters

Formula	C44 H41 B F15 P S2
Calculated formula	C44 H41 B F15 P S2
SMILES	S([P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c1ccc(cc1)C.S([B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccc(cc1)C
Title of publication	Heterolytic Cleavage of Disulfides by Frustrated Lewis Pairs
Authors of publication	Meghan A. Dureen; Gregory C. Welch; Thomas M. Gilbert; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9910 - 9917
a	11.968 ± 0.002 Å
b	13.989 ± 0.003 Å
c	14.243 ± 0.003 Å
α	70.79 ± 0.03°
β	73.62 ± 0.03°
γ	73.93 ± 0.03°
Cell volume	2115.4 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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