Crystallography Open Database

Information card for entry 7043130

Preview

Coordinates	7043130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 As F9 N4 O9 P S3
Calculated formula	C20 H15 As F9 N4 O9 P S3
SMILES	c12cccc[n]1[As]1[n]3c(P2c2[n]1cccc2)cccc3.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[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	12.0563 ± 0.0006 Å
b	12.0768 ± 0.0006 Å
c	12.0815 ± 0.0006 Å
α	87.195 ± 0.001°
β	62.134 ± 0.001°
γ	73.963 ± 0.001°
Cell volume	1487.92 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206958 (current)	2018-03-15	Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1	7043130.cif
197012	2017-05-27	cif/ Adding structures of 7043130, 7043131, 7043132 via cif-deposit CGI script.	7043130.cif