Crystallography Open Database

Information card for entry 7126625

Preview

Coordinates	7126625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H39 Au Cl Ge N3 Si2
Calculated formula	C21 H41 Au Cl Ge N3 Si2
SMILES	[Au]([Ge]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)Cl
Title of publication	N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.
Authors of publication	Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	55
Pages of publication	7625 - 7628
a	8.9235 ± 0.0005 Å
b	18.5223 ± 0.0013 Å
c	17.845 ± 0.0012 Å
α	90°
β	101.332 ± 0.002°
γ	90°
Cell volume	2892 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0457
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
254863 (current)	2020-08-06	cif/ Updating files of 7126624, 7126625, 7126626, 7126627, 7126628, 7126629 Original log message: Adding full bibliography for 7126624--7126629.cif.	7126625.cif
252527	2020-06-02	cif/ Adding structures of 7126624, 7126625, 7126626, 7126627, 7126628, 7126629 via cif-deposit CGI script.	7126625.cif