Crystallography Open Database

Information card for entry 7037326

Preview

Coordinates	7037326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 Cl Ge
Calculated formula	C18 H23 Cl Ge
SMILES	[Ge](Cl)(C#CC(C)(C)C)(C#CC(C)(C)C)c1ccccc1
Title of publication	Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.
Authors of publication	Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6159 - 6174
a	9.5784 ± 0.0004 Å
b	12.8035 ± 0.0006 Å
c	14.997 ± 0.0007 Å
α	90°
β	90.53 ± 0.003°
γ	90°
Cell volume	1839.11 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0436
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
181730 (current)	2016-04-05	cif/ Updating files of 7037325, 7037326, 7037327, 7037328, 7037329, 7037330, 7037331, 7037332, 7037333, 7037334, 7037335 Original log message: Adding full bibliography for 7037325--7037335.cif.	7037326.cif
170426	2015-11-20	cif/ Adding structures of 7037325, 7037326, 7037327, 7037328, 7037329, 7037330, 7037331, 7037332, 7037333, 7037334, 7037335 via cif-deposit CGI script.	7037326.cif