Crystallography Open Database

Information card for entry 7121962

7121961 << 7121962 >> 7121963

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Coordinates	7121962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H192 B5 F20 N36 Ni4
Calculated formula	C204 H192 B5 F20 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	19.7257 ± 0.0011 Å
b	25.1015 ± 0.0019 Å
c	25.7068 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	12728.6 ± 1.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.1624
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2217
Weighted residual factors for all reflections included in the refinement	0.2445
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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