Crystallography Open Database

Information card for entry 4129839

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Coordinates	4129839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C320 H582 Cu24 O231.5 S16.5
Calculated formula	C201 H150 Cu24 O140 S4.5
Title of publication	Coordination-Driven Polymerization of Supramolecular Nanocages.
Authors of publication	Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	47
Pages of publication	14873 - 14876
a	24.4095 ± 0.0011 Å
b	24.6581 ± 0.0015 Å
c	25.0195 ± 0.0015 Å
α	64.384 ± 0.006°
β	61.76 ± 0.006°
γ	87.652 ± 0.004°
Cell volume	11706.2 ± 1.6 Å³
Cell temperature	127.9 ± 0.6 K
Ambient diffraction temperature	127.9 ± 0.6 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1426
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.2298
Weighted residual factors for all reflections included in the refinement	0.2581
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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