Crystallography Open Database

Information card for entry 1568850

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Coordinates	1568850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 Au F5 I N2
Calculated formula	C35 H35 Au F5 I 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	9.7941 ± 0.0004 Å
b	10.9878 ± 0.0004 Å
c	17.6423 ± 0.0003 Å
α	88.379 ± 0.002°
β	78.949 ± 0.003°
γ	67.222 ± 0.004°
Cell volume	1715.85 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0667
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	0.9977
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

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