Crystallography Open Database

Information card for entry 7704891

Preview

Coordinates	7704891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 Cl2 Ga N2
Calculated formula	C27 H37 Cl2 Ga N2
SMILES	[GaH](=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)(Cl)Cl
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	16.4027 ± 0.0002 Å
b	19.2302 ± 0.0002 Å
c	18.9987 ± 0.0002 Å
α	90°
β	111.717 ± 0.001°
γ	90°
Cell volume	5567.36 ± 0.11 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0404
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
294326 (current)	2024-09-02	cif/7: Fixing some Z values and formulae	7704891.cif
256062	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.	7704891.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.	7704891.cif