Crystallography Open Database

Information card for entry 1568795

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Coordinates	1568795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C504 H442 Br18 N72 Ni52 O264
Calculated formula	C504 H442 Br18 N72 Ni52 O264
Title of publication	Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.
Authors of publication	Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong
Journal of publication	IUCrJ
Year of publication	2023
Journal volume	10
Journal issue	3
a	58.069 ± 0.007 Å
b	58.069 ± 0.007 Å
c	58.069 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	195809 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	203
Hermann-Mauguin space group symbol	F d -3 :2
Hall space group symbol	-F 2uv 2vw 3
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1646
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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