Crystallography Open Database

Information card for entry 4120217

4120216 << 4120217 >> 4120218

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Coordinates	4120217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C246 H148 Co8 S15
Calculated formula	C246 H148 Co8 S15
Title of publication	Selective Synthesis of Co8S15 Cluster in Bowl-Shaped Template of the Pentaaryl[60]fullerene Ligand
Authors of publication	Masashi Maruyama; Kenta Imoto; Matthias König; Dirk M. Guldi; Shin-ichi Ohkoshi; Eiichi Nakamura; Yutaka Matsuo
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10914 - 10917
a	19.5786 ± 0.0004 Å
b	32.8041 ± 0.0006 Å
c	31.8927 ± 0.0006 Å
α	90°
β	98.922 ± 0.0007°
γ	90°
Cell volume	20235.5 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2776
Residual factor for significantly intense reflections	0.1147
Weighted residual factors for significantly intense reflections	0.2168
Weighted residual factors for all reflections included in the refinement	0.2918
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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