Crystallography Open Database

Information card for entry 4106087

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Coordinates	4106087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H85 Co S3
Calculated formula	C126 H85 Co S3
Title of publication	Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes
Authors of publication	Masashi Maruyama; Jing-Dong Guo; Shigeru Nagase; Eiichi Nakamura; Yutaka Matsuo
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6890 - 6893
a	16.3208 ± 0.0003 Å
b	16.8986 ± 0.0004 Å
c	17.3102 ± 0.0005 Å
α	81.841 ± 0.002°
β	69.7535 ± 0.0017°
γ	73.2243 ± 0.0015°
Cell volume	4283.83 ± 0.19 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.173
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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