Crystallography Open Database

Information card for entry 4104897

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Coordinates	4104897.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co32(C40H44S4O4)6(u3-O)24(H2O)24](CHCl3)12(H2O)110
Formula	C252 H544 Cl36 Co32 O182 S24
Calculated formula	C240 H264 Co32 O72 S24
Title of publication	A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene
Authors of publication	Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	11650 - 11651
a	27.0173 ± 0.0004 Å
b	27.0173 ± 0.0004 Å
c	29.017 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	21180.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.1007
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2726
Weighted residual factors for all reflections included in the refinement	0.2793
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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