Crystallography Open Database

Information card for entry 4349024

Preview

Coordinates	4349024.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Co
Formula	C164 H188 Co8 N8 O50 S8
Calculated formula	C164 H184 Co8 N8 O50 S8
Title of publication	Designing structurally tunable and functionally versatile synthetic supercontainers
Authors of publication	Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	2
Pages of publication	243
a	12.971 ± 0.0006 Å
b	13.7364 ± 0.0006 Å
c	26.013 ± 0.0011 Å
α	79.687 ± 0.001°
β	81.655 ± 0.001°
γ	67.106 ± 0.001°
Cell volume	4186.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2101
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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