Crystallography Open Database

Information card for entry 4071368

Preview

Coordinates	4071368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H49 I Si4 Sn
Calculated formula	C22 H49 I Si4 Sn
SMILES	I[Sn]1(C(C#CC)CC)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
Title of publication	Direct Formation of Propargyltin Compounds via C−H Activation
Authors of publication	Kavara, Ajdin; Kampf, Jeff W.; Banaszak Holl, Mark M.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	2896
a	11.6583 ± 0.0009 Å
b	16.829 ± 0.001 Å
c	16.076 ± 0.001 Å
α	90°
β	105.156 ± 0.001°
γ	90°
Cell volume	3044.4 ± 0.4 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	5
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	0.0178
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0452
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178602 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13.	4071368.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071368.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071368.cif
43169	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071368 via cif-deposit CGI script.	4071368.cif