Crystallography Open Database

Information card for entry 4081786

Preview

Coordinates	4081786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H57 Ga Ge N2
Calculated formula	C28 H57 Ga Ge N2
SMILES	[Ge]1(C(=C\C(C)(C)C)/[Ga](C(C)(C)C)(C(C)(C)C)[N]1(CC)CC)(C#CC(C)(C)C)N(CC)CC
Title of publication	Cooperative Ge‒N Bond Activation in Hydrogallation Products of Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4‒n
Authors of publication	Uhl, Werner; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Risthaus, Tobias
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	22
Pages of publication	6770
a	16.5402 ± 0.0007 Å
b	9.8646 ± 0.0004 Å
c	19.9517 ± 0.0008 Å
α	90°
β	91.527 ± 0.002°
γ	90°
Cell volume	3254.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0671
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178706 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/17.	4081786.cif
91763	2013-12-13	cif/ Adding structures of 4081786, 4081787, 4081788, 4081789, 4081790, 4081791, 4081792 via cif-deposit CGI script.	4081786.cif