Crystallography Open Database

Information card for entry 4069395

Preview

Coordinates	4069395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 N2 S2 Si4 Sn2
Calculated formula	C18 H40 N2 S2 Si4 Sn2
SMILES	[Sn]1([S]2[Sn]([S]1c1c2cccc1)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	N,S- and N,O-Substituted Stannylenes: Preparation and X-ray Diffraction Studies
Authors of publication	Zabula, Alexander V.; Pape, Tania; Hupka, Florian; Hepp, Alexander; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	14
Pages of publication	4221
a	13.3768 ± 0.0004 Å
b	16.0331 ± 0.0005 Å
c	13.867 ± 0.0004 Å
α	90 ± 0.0004°
β	91.463 ± 0.0004°
γ	90 ± 0.0004°
Cell volume	2973.11 ± 0.15 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 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	0.0193
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0381
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
178582 (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 4/06/93.	4069395.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069395.cif
40277	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069395 via cif-deposit CGI script.	4069395.cif