Crystallography Open Database

Information card for entry 4303430

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Structure parameters

Formula	C36 H41 B F15 P S2
Calculated formula	C36 H41 B F15 P S2
SMILES	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)C(C)C.S([P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)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	14.9509 ± 0.0004 Å
b	16.9921 ± 0.0004 Å
c	15.2385 ± 0.0004 Å
α	90°
β	98.389 ± 0.001°
γ	90°
Cell volume	3829.88 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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