Crystallography Open Database

Information card for entry 7112853

Preview

Coordinates	7112853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H282 Si40 Sn13
Calculated formula	C95 H282 Si40 Sn13
SMILES	[Sn]12([Sn]3([Sn]45([Sn]67([Sn]83[Sn]31([Sn]19([Sn]24[Sn]579[Sn]6831)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[Sn]1([Sn](=[Sn]1[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.C(CC)CC
Title of publication	Sn[Si(SiMe3)3]3- and Sn3[Si(SiMe3)3]4: first insight into the mechanism of the disproportionation of a tin monohalide gives access to the shortest double bond of tin.
Authors of publication	Schrenk, Claudio; Schnepf, Andreas
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	36
Pages of publication	6756 - 6758
a	15.351 ± 0.003 Å
b	43.305 ± 0.009 Å
c	15.351 ± 0.003 Å
α	90°
β	103.44 ± 0.03°
γ	90°
Cell volume	9925 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112853.cif
112124	2014-04-29	cif/ Adding structures of 7112853, 7112854 via cif-deposit CGI script.	7112853.cif