Crystallography Open Database

Information card for entry 4089140

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Structure parameters

Formula	C18 H12 Cl F3 Ge
Calculated formula	C18 H12 Cl F3 Ge
SMILES	[Ge](Cl)(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
Title of publication	Oligogermanes Containing Only Electron-Withdrawing Substituents: Synthesis and Properties
Authors of publication	Zaitsev, Kirill V.; Lam, Kevin; Zhanabil, Zhaisan; Suleimen, Yerlan; Kharcheva, Anastasia V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Poleshchuk, Oleg Kh.; Lermontova, Elmira Kh.; Churakov, Andrei V.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	36
Journal issue	2
Pages of publication	298
a	10.1656 ± 0.0013 Å
b	11.4001 ± 0.0014 Å
c	13.923 ± 0.0017 Å
α	90°
β	90.604 ± 0.002°
γ	90°
Cell volume	1613.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0341
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4089140.cif
238009	2019-11-24	cif/ Adding structures of 4089140, 4089141, 4089142, 4089143, 4089144, 4089145, 4089146 via cif-deposit CGI script.	4089140.cif