Crystallography Open Database

Information card for entry 4112902

Preview

Coordinates	4112902.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Na]2[Dipp*Ge(mu-H)]2
Formula	C60 H76 Ge2 Na2
Calculated formula	C60 H76 Ge2 Na2
SMILES	C(C)(c1c(c2c([Ge]34[H][Ge]4(c4c(cccc4c4c(cccc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)[H]3)c(ccc2)c2c(C(C)C)cccc2C(C)C)c(ccc1)C(C)C)C.[Na+].[Na+]
Title of publication	Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures
Authors of publication	Anne F. Richards; Marcin Brynda; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	10530 - 10531
a	11.6034 ± 0.0015 Å
b	17.856 ± 0.002 Å
c	13.1893 ± 0.0017 Å
α	90°
β	100.058 ± 0.002°
γ	90°
Cell volume	2690.7 ± 0.6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178900 (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 4/11/29.	4112902.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112902.cif
65320	2012-09-05	cif/ Adding structures of 4112902 via cif-deposit CGI script.	4112902.cif