Crystallography Open Database

Information card for entry 4501635

Preview

Coordinates	4501635.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	organotin sulfonate
Formula	C40 H60 N2 O15 S2 Sn2
Calculated formula	C40 H57 N2 O15 S2 Sn2
Title of publication	In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies
Authors of publication	Chandrasekhar, Vadapalli; Singh, Puja
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3077
a	15.9172 ± 0.0019 Å
b	20.121 ± 0.002 Å
c	15.5682 ± 0.0018 Å
α	90°
β	109.276 ± 0.002°
γ	90°
Cell volume	4706.5 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1827
Weighted residual factors for all reflections included in the refinement	0.235
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179547 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/16.	4501635.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501635.cif
36008	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501635 via cif-deposit CGI script.	4501635.cif