Crystallography Open Database

Information card for entry 4519205

4519204 << 4519205 >> 4519206

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Coordinates	4519205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H56 Cu4 I4 N22 O2 S6
Calculated formula	C56.9991 H55.9992 Cu4 I4 N21.9998 O1.9998 S6
Title of publication	Cuprous Cluster-Based Coordination Sheets as Photocatalytic Regulators to Activate Oxygen, Benzoquinone, and Thianthrenium Salts.
Authors of publication	Huang, Huilin; Jing, Xu; Zhong, Bingwen; Meng, Changgong; Duan, Chunying
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	49
Pages of publication	58498 - 58507
a	20.7951 ± 0.0006 Å
b	20.7951 ± 0.0006 Å
c	93.704 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	35092 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.2151
Weighted residual factors for all reflections included in the refinement	0.2247
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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