Crystallography Open Database

Information card for entry 7129743

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Coordinates	7129743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Cu2 I2 N5
Calculated formula	C28 H25 Cu2 I2 N5
Title of publication	Binuclear copper iodine cluster-based coordination sheets as photocatalysts for decarboxylative cyanation.
Authors of publication	Zhong, Bingwen; Huang, Huilin; Jing, Xu; Duan, Chunying
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	58
Journal issue	24
Pages of publication	3961 - 3964
a	13.439 ± 0.0016 Å
b	28.091 ± 0.004 Å
c	9.4068 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3551.2 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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