Crystallography Open Database

Information card for entry 7116057

Preview

Coordinates	7116057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H58 Ge2 N4 Se2 Si2
Calculated formula	C24 H58 Ge2 N4 Se2 Si2
SMILES	[Se]([Ge]1(N(C(C)(C)C)[Si](N1C(C)(C)C)(C)C)[Ge]1([Se]CC)N(C(C)(C)C)[Si](N1C(C)(C)C)(C)C)CC
Title of publication	Germane vs. digermane formation
Authors of publication	P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15461
a	11.96 ± 0.0007 Å
b	18.0926 ± 0.0011 Å
c	18.1839 ± 0.0011 Å
α	113.426 ± 0.003°
β	90.896 ± 0.003°
γ	99.856 ± 0.003°
Cell volume	3541.9 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116057.cif
128844	2014-12-19	cif/ Adding structures of 7116051, 7116052, 7116053, 7116054, 7116055, 7116056, 7116057, 7116058 via cif-deposit CGI script.	7116057.cif