Crystallography Open Database

Information card for entry 4115376

Preview

Coordinates	4115376.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1-Bis(di-tert-butyl(methyl)silyl]-2,2-bis(2,4,6-triisopropylphenyl)- 1-sila-2-stannaethene
Formula	C48 H88 Si3 Sn
Calculated formula	C48 H88 Si3 Sn
SMILES	[Sn]([Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	The First Silastannene >SiSn<: A New Doubly-Bonded System of Heavier Group 14 Elements
Authors of publication	Akira Sekiguchi; Rika Izumi; Vladimir Ya. Lee; Masaaki Ichinohe
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	14822 - 14823
a	10.918 ± 0.0009 Å
b	18.917 ± 0.0011 Å
c	25.048 ± 0.0018 Å
α	90°
β	94.397 ± 0.004°
γ	90°
Cell volume	5158.1 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178924 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/53.	4115376.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115376.cif
68842	2012-11-21	cif/ Adding structures of 4115376 via cif-deposit CGI script.	4115376.cif