Crystallography Open Database

Information card for entry 7708329

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Coordinates	7708329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cu4 I8 N4 S2
Calculated formula	C16 H14 Cu4 I8 N4 S2
Title of publication	Encapsulating third donors into D‒A hybrid heterostructures to form three-component charge-transfer complexes for enhanced electrical properties
Authors of publication	Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin
Journal of publication	Dalton Transactions
Year of publication	2021
a	5.9584 ± 0.0003 Å
b	11.7691 ± 0.0007 Å
c	12.0851 ± 0.0006 Å
α	110.95 ± 0.005°
β	97.265 ± 0.005°
γ	94.237 ± 0.005°
Cell volume	778.58 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.05
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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

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