Crystallography Open Database

Information card for entry 7704889

Preview

Coordinates	7704889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 Cl2 Ga N
Calculated formula	C20 H32 Cl2 Ga N
SMILES	[GaH](Cl)(Cl)=C1N(c2c(cccc2C(C)C)C(C)C)C(CC1(C)C)(C)C
Title of publication	N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.
Authors of publication	Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	32
Pages of publication	11108 - 11119
a	14.8846 ± 0.0002 Å
b	14.9936 ± 0.0002 Å
c	19.007 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4241.86 ± 0.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
256062 (current)	2020-09-06	cif/ Updating files of 7704887, 7704888, 7704889, 7704890, 7704891, 7704892, 7704893, 7704894, 7704895, 7704896, 7704897 Original log message: Adding full bibliography for 7704887--7704897.cif.	7704889.cif
254426	2020-07-21	cif/ Adding structures of 7704887, 7704888, 7704889, 7704890, 7704891, 7704892, 7704893, 7704894, 7704895, 7704896, 7704897 via cif-deposit CGI script.	7704889.cif