Crystallography Open Database

Information card for entry 7121964

7121963 << 7121964 >> 7121965

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Coordinates	7121964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C228 H240 N36 Ni4
Calculated formula	C228 H240 N36 Ni4
Title of publication	Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation.
Authors of publication	Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	63
Pages of publication	8725 - 8728
a	23.8389 ± 0.0014 Å
b	23.8389 ± 0.0014 Å
c	23.8389 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	13547.5 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.1814
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.2035
Weighted residual factors for all reflections included in the refinement	0.2549
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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