Crystallography Open Database

Information card for entry 4067993

Preview

Coordinates	4067993.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	pentafluoropropenyltriphenyltin
Formula	C21 H15 F5 Sn
Calculated formula	C21 H15 F5 Sn
SMILES	C(=C(\C(F)(F)F)F)(F)\[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Pentafluoropropenyl Complexes of Mercury, Germanium, Tin, and Lead Derived from (Z)-CFH═CFCF3and Their Use as Transfer Reagents
Authors of publication	Brisdon, Alan K.; Pritchard, Robin G.; Thomas, Anthony
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	4
Pages of publication	1341
a	9.6575 ± 0.0003 Å
b	11.7113 ± 0.0004 Å
c	17.8592 ± 0.0005 Å
α	97.498 ± 0.002°
β	101.513 ± 0.002°
γ	101.856 ± 0.001°
Cell volume	1905.82 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178570 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/79.	4067993.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067993.cif
38050	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4067993, 4067994 via cif-deposit CGI script.	4067993.cif