Crystallography Open Database

Information card for entry 7043131

Preview

Coordinates	7043131.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Trispyridylphosphine antimony tris triflate
Chemical name	Trispyridylphosphine antimony tris triflate
Formula	C19 H13.5 F9 N3.5 O9 P S3 Sb
Calculated formula	C19 H13.5 F9 N3.5 O9 P S3 Sb
SMILES	[Sb]12(OS(=O)(=O)C(F)(F)F)([n]3ccccc3P(c3[n]2cccc3)c2[n]1cccc2)(OS(=O)(=O)C(F)(F)F)OS(=O)(C(F)(F)F)=O.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	21.6061 ± 0.0002 Å
b	12.18356 ± 0.0001 Å
c	21.5114 ± 0.0002 Å
α	90°
β	91.2212 ± 0.0009°
γ	90°
Cell volume	5661.36 ± 0.09 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0168
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0391
Weighted residual factors for all reflections included in the refinement	0.0392
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
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.	7043131.cif