Crystallography Open Database

Information card for entry 4114188

Preview

Coordinates	4114188.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DippGeGeDippK
Formula	C60 H74 Ge2 K
Calculated formula	C60 H74 Ge2 K
SMILES	[K+].c1ccc(c(c1C(C)C)c1c([Ge]#[Ge]c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)c(ccc1)c1c(cccc1C(C)C)C(C)C)C(C)C
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	10.6822 ± 0.0013 Å
b	19.393 ± 0.002 Å
c	26.455 ± 0.003 Å
α	90°
β	93.599 ± 0.002°
γ	90°
Cell volume	5469.6 ± 1.1 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	4
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	0.0473
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4114188.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114188.cif
67471	2012-09-26	cif/ Adding structures of 4114188 via cif-deposit CGI script.	4114188.cif