Crystallography Open Database

Information card for entry 4119555

4119554 << 4119555 >> 4119556

Preview

Coordinates	4119555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H52 Ge N4
Calculated formula	C41.5 H52 Ge N4
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	12.5347 ± 0.0002 Å
b	21.3341 ± 0.0003 Å
c	14.5859 ± 0.0002 Å
α	90°
β	101.883 ± 0.001°
γ	90°
Cell volume	3816.92 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4119555.cif
103714	2014-03-06	cif/ Adding structures of 4119555 via cif-deposit CGI script.	4119555.cif