Crystallography Open Database

Information card for entry 4086452

Preview

Coordinates	4086452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 Ge2 N4
Calculated formula	C32 H46 Ge2 N4
SMILES	[Ge]12c3c(/C=N/C(C)(C)C)cccc3[C@H]3[C@@H]4c5cccc(c5[Ge]([N]13C(C)(C)C)[N]24C(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	8.5992 ± 0.0006 Å
b	18.2258 ± 0.0012 Å
c	20.492 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3211.7 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	4086452.cif
181968	2016-04-08	cif/ Adding structures of 4086452, 4086453, 4086454 via cif-deposit CGI script.	4086452.cif