Crystallography Open Database

Information card for entry 4069887

Preview

Coordinates	4069887.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	organotin sulfonate
Formula	C20 H30 F6 N2 O10 S2 Sn
Calculated formula	C20 H30 F6 N2 O10 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	9.814 ± 0.005 Å
b	10.619 ± 0.005 Å
c	15.246 ± 0.005 Å
α	103.273 ± 0.005°
β	95.276 ± 0.005°
γ	98.804 ± 0.005°
Cell volume	1514.8 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1512
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	4069887.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069887.cif
40497	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069887 via cif-deposit CGI script.	4069887.cif