Crystallography Open Database

Information card for entry 4114193

Preview

Coordinates	4114193.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Dipp*SnK)2.1.5C6H6
Formula	C78 H92 K2 Sn2
Calculated formula	C79 H92 K2 Sn2
Title of publication	Germanium and Tin Analogues of Alkynes and Their Reduction Products
Authors of publication	Lihung Pu; Andrew D. Phillips; Anne F. Richards; Matthias Stender; Richard S. Simons; Marilyn M. Olmstead; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	11626 - 11636
a	26.268 ± 0.002 Å
b	18.7851 ± 0.0016 Å
c	15.0562 ± 0.0013 Å
α	90°
β	111.697 ± 0.002°
γ	90°
Cell volume	6903.1 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178912 (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 4/11/41.	4114193.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114193.cif
67476	2012-09-26	cif/ Adding structures of 4114193 via cif-deposit CGI script.	4114193.cif