Crystallography Open Database

Information card for entry 1568848

Preview

Coordinates	1568848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H43 Au F4 I2 N2
Calculated formula	C39 H43 Au F4 I2 N2
Title of publication	Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media
Authors of publication	Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	17
Pages of publication	4485 - 4494
a	10.7939 ± 0.0001 Å
b	15.2361 ± 0.0001 Å
c	13.1834 ± 0.0001 Å
α	90°
β	111.731 ± 0.001°
γ	90°
Cell volume	2014.02 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.0208
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1568848.html