Crystallography Open Database

Information card for entry 7043132

Preview

Coordinates	7043132.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Trispyridylphosphine antimony fluoride bis triflate
Chemical name	Trispyridylphosphine antimony fluoride bis triflate
Formula	C21 H18 F7 N5 O6 P S2 Sb
Calculated formula	C21 H18 F7 N5 O6 P S2 Sb
SMILES	[Sb]12(F)([n]3c(P(c4[n]1cccc4)c1[n]2cccc1)cccc3)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.C(#N)C.N#CC
Title of publication	Tris(2-pyridyl)phosphine as a versatile ligand for pnictogen acceptors
Authors of publication	Suter, Riccardo; Sinclair, Hannah; Burford, Neil; McDonald, Robert; Ferguson, Michael J.; Schrader, Erik
Journal of publication	Dalton Trans.
Year of publication	2017
a	14.1583 ± 0.0003 Å
b	15.6137 ± 0.0003 Å
c	13.3459 ± 0.0003 Å
α	90°
β	95.51 ± 0.001°
γ	90°
Cell volume	2936.66 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.05 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197012 (current)	2017-05-27	cif/ Adding structures of 7043130, 7043131, 7043132 via cif-deposit CGI script.	7043132.cif