Crystallography Open Database

Information card for entry 7131203

Preview

Coordinates	7131203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Au I2 N
Calculated formula	C16 H36 Au I2 N
SMILES	[Au](I)[I-].[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Intimate relationship between C-I reductive elimination, aryl scrambling and isomerization processes in Au(III) complexes.
Authors of publication	Fernández-Moyano, Sara; Marcos-Ayuso, Guillermo; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	14
Pages of publication	1975 - 1978
a	9.4636 ± 0.0006 Å
b	15.8178 ± 0.0009 Å
c	15.9489 ± 0.0011 Å
α	94.94 ± 0.005°
β	96.324 ± 0.006°
γ	105.988 ± 0.005°
Cell volume	2264.1 ± 0.3 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1528
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation probe	x-ray
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
283072 (current)	2023-05-05	cif/ Updating files of 7131200, 7131201, 7131202, 7131203 Original log message: Adding full bibliography for 7131200--7131203.cif.	7131203.cif
280538	2023-01-24	cif/ Adding structures of 7131200, 7131201, 7131202, 7131203 via cif-deposit CGI script.	7131203.cif