Crystallography Open Database

Information card for entry 2243972

Preview

Coordinates	2243972.cif
Structure factors	2243972.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) <i>trans</i>-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) diiodide
Formula	C28 H44 Au2 Br4 I4 N8
Calculated formula	C28 H44 Au2 Br4 I4 N8
SMILES	C1(N(C(=CN1CC)Br)CC)=[Au](=C1N(C(=CN1CC)Br)CC)(I)I.[I-].[Au](=C1N(C(Br)=CN1CC)CC)=C1N(C(Br)=CN1CC)CC.[I-]
Title of publication	Crystal structures of the gold NHC complex bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) iodide and its 1:1 adduct with <i>trans</i>-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) iodide
Authors of publication	Büssing, Rolf; Ott, Ingo; Jones, Peter G.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	12
Pages of publication	1249 - 1252
a	8.0245 ± 0.0004 Å
b	8.5782 ± 0.0003 Å
c	15.9814 ± 0.0006 Å
α	91.228 ± 0.003°
β	96.517 ± 0.004°
γ	92.255 ± 0.004°
Cell volume	1091.77 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
271894 (current)	2022-01-07	cif/ hkl/ Adding structures of 2243971, 2243972 via cif-deposit CGI script.	2243972.cif 2243972.hkl