Crystallography Open Database

Information card for entry 4086454

Preview

Coordinates	4086454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 Cl Ge N2
Calculated formula	C16 H23 Cl Ge N2
SMILES	[Ge]1(Cl)c2c(cccc2C=[N]1C(C)(C)C)/C=N/C(C)(C)C
Title of publication	Synthesis of a Germylidenide Anion from the C‒C Bond Activation of a Bis(germylene)
Authors of publication	Seow, Celestine; Xi, Hong-Wei; Li, Yongxin; So, Cheuk-Wai
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	8
Pages of publication	1060
a	8.7947 ± 0.0006 Å
b	16.4126 ± 0.0011 Å
c	11.7594 ± 0.0008 Å
α	90°
β	95.918 ± 0.002°
γ	90°
Cell volume	1688.4 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0592
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
182519 (current)	2016-05-04	cif/ Updating files of 4086452, 4086453, 4086454 Original log message: Adding full bibliography for 4086452--4086454.cif.	4086454.cif
181968	2016-04-08	cif/ Adding structures of 4086452, 4086453, 4086454 via cif-deposit CGI script.	4086454.cif