Crystallography Open Database

Information card for entry 7715950

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Coordinates	7715950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H67 Cu12 N39 O61
Calculated formula	C72 H67.0002 Cu12 N39 O61
Title of publication	Solvents regulated packing porosity of a bilayer metal-organic cage
Authors of publication	Pan, Ting; Wu, Yanxin; Duan, Yuefeng; Duan, Jingui
Journal of publication	Dalton Transactions
Year of publication	2024
a	18.4268 ± 0.0006 Å
b	18.4268 ± 0.0006 Å
c	22.5112 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	6619.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2294
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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