Crystallography Open Database

Information card for entry 2238962

Preview

Coordinates	2238962.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	aquatrifluoroacetatotriphenyltin.2,2'-bipyridine
Formula	C30 H25 F3 N2 O3 Sn
Calculated formula	C30 H25 F3 N2 O3 Sn
SMILES	c1ccc(nc1)c1ccccn1.O=C(C(F)(F)F)O[Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)[OH2]
Title of publication	Aqua(trifluoroacetato)triphenyltin‒2,2'-bipyridine (2/2)
Authors of publication	Chee, Chin Fei; Lo, Kong Mun; Ng, Seik Weng
Journal of publication	Acta Crystallographica, Section E: Structure Reports Online
Year of publication	2003
Journal volume	59
Journal issue	4
Pages of publication	m205 - m206
a	11.556 ± 0.001 Å
b	11.662 ± 0.001 Å
c	12.387 ± 0.001 Å
α	101.524 ± 0.001°
β	101.037 ± 0.001°
γ	117.313 ± 0.001°
Cell volume	1374.3 ± 0.2 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
218374 (current)	2019-09-17	cif/2/23/89/ Updated bibliographical information in entry 2238962.	2238962.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238962.cif
129076	2014-12-26	Fixing formulae and Z values for several entries	2238962.cif
99191	2014-01-30	cif/ Adding structures of 2238962 via cif-deposit CGI script.	2238962.cif