Crystallography Open Database

Information card for entry 4119554

4119553 << 4119554 >> 4119555

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Coordinates	4119554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 Cl2 Ge N5
Calculated formula	C33 H43 Cl2 Ge N5
SMILES	[Ge]1(Cl)=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)CN2C=CN(c3c(cccc3C(C)C)C(C)C)C=12.[Cl-].N#CC
Title of publication	A Cyclic Germadicarbene ("Germylone") from Germyliumylidene
Authors of publication	Yun Xiong; Shenglai Yao; Gengwen Tan; Shigeyoshi Inoue; Matthias Driess
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5004 - 5007
a	13.1242 ± 0.0004 Å
b	15.462 ± 0.0004 Å
c	17.2687 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3504.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0528
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
178966 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/95.	4119554.cif
103713	2014-03-06	cif/ Adding structures of 4119554 via cif-deposit CGI script.	4119554.cif