Crystallography Open Database

Information card for entry 4112290

Preview

Coordinates	4112290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H70 N2 Si Sn
Calculated formula	C46 H70 N2 Si Sn
SMILES	[Sn](c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C([Si](C(C)C)(C(C)C)C(C)C)=N#N
Title of publication	Stannaacetylene (RSn\τbCR') Showing Carbene-like Reaction Mode
Authors of publication	Wataru Setaka; Katsuyuki Hirai; Hideo Tomioka; Kenkichi Sakamoto; Mitsuo Kira
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2696 - 2697
a	12.384 ± 0.005 Å
b	21.871 ± 0.009 Å
c	16.751 ± 0.007 Å
α	90°
β	104.875 ± 0.009°
γ	90°
Cell volume	4385 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.1252
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	0.879
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
178893 (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 4/11/22.	4112290.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112290.cif
64661	2012-08-22	cif/ Adding structures of 4112290 via cif-deposit CGI script.	4112290.cif