Crystallography Open Database

Information card for entry 7037325

Preview

Coordinates	7037325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 Cl Ge
Calculated formula	C18 H19 Cl Ge
SMILES	[Ge](Cl)(c1ccccc1)(c1ccccc1)C#CC(C)(C)C
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	9.1791 ± 0.0004 Å
b	9.8948 ± 0.0004 Å
c	10.2882 ± 0.0004 Å
α	79.7842 ± 0.0011°
β	66.5677 ± 0.001°
γ	87.3763 ± 0.0011°
Cell volume	843.46 ± 0.06 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7037325.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.	7037325.cif