Crystallography Open Database

Information card for entry 4114189

Preview

Coordinates	4114189.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Dipp*GeLi)2
Formula	C60 H74 Ge2 Li2
Calculated formula	C60 H74 Ge2 Li2
SMILES	c1c(C(C)C)c(c2c([Ge][Ge]c3c(cccc3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)c(ccc2)c2c(cccc2C(C)C)C(C)C)c(cc1)C(C)C.[Li+].[Li+]
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	9.617 ± 0.002 Å
b	12.705 ± 0.003 Å
c	12.833 ± 0.004 Å
α	113.68 ± 0.005°
β	97.789 ± 0.009°
γ	110.46 ± 0.02°
Cell volume	1273.9 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
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.	4114189.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114189.cif
67472	2012-09-26	cif/ Adding structures of 4114189 via cif-deposit CGI script.	4114189.cif