Crystallography Open Database

Information card for entry 7111829

Preview

Coordinates	7111829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H6 F14 Sn
Calculated formula	C22 H6 F14 Sn
SMILES	[Sn]1(C(=C(c2c1c(F)c(F)c(F)c2F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C)C
Title of publication	Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene
Authors of publication	Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1295
a	7.8081 ± 0.0004 Å
b	14.4792 ± 0.0009 Å
c	9.4551 ± 0.0005 Å
α	90°
β	90.521 ± 0.003°
γ	90°
Cell volume	1068.9 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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