Crystallography Open Database

Information card for entry 4068596

Preview

Coordinates	4068596.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	organotin sulfonate
Formula	C16 H24 O13 S2 Sn
Calculated formula	C16 H24 O13 S2 Sn
Title of publication	First Example of a Hydrated Monoorganotin Cation: Synthesis and Structure of [{PhSn(H2O)3(μ-OH)}2][{1,5-C10H6-(SO3)2}2]
Authors of publication	Chandrasekhar, Vadapalli; Singh, Puja
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	42
a	10.495 ± 0.005 Å
b	10.796 ± 0.005 Å
c	11.583 ± 0.005 Å
α	72.431 ± 0.005°
β	76.672 ± 0.005°
γ	61.853 ± 0.005°
Cell volume	1097.1 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
178575 (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 4/06/85.	4068596.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068596.cif
39893	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068596 via cif-deposit CGI script.	4068596.cif