Crystallography Open Database

Information card for entry 4315539

Preview

Coordinates	4315539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H86 O10 S2 Sn4
Calculated formula	C36 H86 O10 S2 Sn4
Title of publication	Cleavage of Sn-C and S-CalkylBonds on an Organotin Scaffold: Synthesis and Characterization of a Novel Organotin-Sulfite Cluster Bearing Methyltin- and Dimethyltin Fragments
Authors of publication	Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Mary F. Mahon; Kieran C. Molloy
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	4708 - 4715
a	18.5182 ± 0.0011 Å
b	12.3375 ± 0.0006 Å
c	22.096 ± 0.0014 Å
α	90°
β	93.224 ± 0.003°
γ	90°
Cell volume	5040.2 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1557
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179235 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/55.	4315539.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315539.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315539.cif
8694	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315539 via cif-deposit CGI script.	4315539.cif