Crystallography Open Database

Information card for entry 1543301

Preview

Coordinates	1543301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 Cl3 Ga Ge N5 Se
Calculated formula	C33 H43 Cl3 Ga Ge N5 Se
SMILES	[Se]([Ge]1=C2N(C=CN2CN2C=1N(C=C2)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Ga](Cl)(Cl)Cl.N#CC
Title of publication	Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)
Authors of publication	Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	8
Pages of publication	5462
a	12.532 ± 0.0001 Å
b	18.8855 ± 0.0001 Å
c	16.0769 ± 0.0001 Å
α	90°
β	90.091 ± 0.001°
γ	90°
Cell volume	3804.96 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0381
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185164 (current)	2016-08-07	cif/ Updating files of 1543298, 1543299, 1543300, 1543301, 1543302 Original log message: Adding full bibliography for 1543298--1543302.cif.	1543301.cif
182871	2016-05-11	cif/ Adding structures of 1543298, 1543299, 1543300, 1543301, 1543302 via cif-deposit CGI script.	1543301.cif