Crystallography Open Database

Information card for entry 4069888

Preview

Coordinates	4069888.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	organotin sulfonate
Formula	C20 H34 F6 N2 O12 S2 Sn
Calculated formula	C20 H34 F6 N2 O12 S2 Sn
Title of publication	A Pentahydrated Diorganotin Cation. Cocrystallization of [{n-Bu2Sn(H2O)5}][CF3SO3]2and [{n-Bu2Sn(BPDO-II)2(H2O)2}][CF3SO3]2
Authors of publication	Chandrasekhar, Vadapalli; Singh, Puja
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	4974
a	9.122 ± 0.005 Å
b	14.892 ± 0.005 Å
c	45.691 ± 0.005 Å
α	90 ± 0.005°
β	92.835 ± 0.005°
γ	90 ± 0.005°
Cell volume	6199 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178587 (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 4/06/98.	4069888.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069888.cif
40498	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069888 via cif-deposit CGI script.	4069888.cif