Crystallography Open Database

Information card for entry 1568854

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Coordinates	1568854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 Au F10 I2 N3
Calculated formula	C38 H30 Au F10 I2 N3
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	15.9833 ± 0.0002 Å
b	12.141 ± 0.0001 Å
c	20.265 ± 0.0002 Å
α	90°
β	97.592 ± 0.001°
γ	90°
Cell volume	3898.02 ± 0.07 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.0593
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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