Crystallography Open Database

Information card for entry 4114187

Preview

Coordinates	4114187.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Bert*Ge]2Na.0.5hexane
Formula	C75 H105 Ge2 Na
Calculated formula	C75 H105 Ge2 Na
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	14.2725 ± 0.0015 Å
b	20.169 ± 0.002 Å
c	24.16 ± 0.002 Å
α	90°
β	98.192 ± 0.008°
γ	90°
Cell volume	6883.8 ± 1.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
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	0.0676
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4114187.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114187.cif
67470	2012-09-26	cif/ Adding structures of 4114187 via cif-deposit CGI script.	4114187.cif