Crystallography Open Database

Information card for entry 7123439

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Coordinates	7123439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C284 H316 Co16 N36 O140 S12
Calculated formula	C248 H172 Co16 N24 O120 S12
Title of publication	Calix[4]resorcinarene-based [Co16] coordination cages mediated by isomorphous auxiliary ligands for enhanced proton conduction
Authors of publication	Guo, Ting-Ting; Cheng, Dong-Ming; Yang, Jin; Xu, Xianxiu; Ma, Jian-Fang
Journal of publication	Chemical Communications
Year of publication	2019
a	26.657 ± 0.012 Å
b	26.657 ± 0.012 Å
c	33.26 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	23634 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.3469
Residual factor for significantly intense reflections	0.1572
Weighted residual factors for significantly intense reflections	0.3902
Weighted residual factors for all reflections included in the refinement	0.4542
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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