Crystallography Open Database

Information card for entry 1568843

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Coordinates	1568843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 Au F5 I N2
Calculated formula	C33 H31 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	18.47467 ± 0.00018 Å
b	10.43735 ± 0.00009 Å
c	17.53427 ± 0.00017 Å
α	90°
β	107.246 ± 0.001°
γ	90°
Cell volume	3229.06 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.0423
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1045
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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