Crystallography Open Database

Information card for entry 4130477

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Coordinates	4130477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 La2 S6
Calculated formula	C107 La2 S6
Title of publication	Isolation and Crystallographic Characterization of La2C2@Cs(574)-C102 and La2C2@C2(816)-C104: Evidence for the Top-Down Formation Mechanism of Fullerenes.
Authors of publication	Cai, Wenting; Li, Fang-Fang; Bao, Lipiao; Xie, Yunpeng; Lu, Xing
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	20
Pages of publication	6670 - 6675
a	12.3918 ± 0.0006 Å
b	23.9814 ± 0.0012 Å
c	18.4258 ± 0.0009 Å
α	90°
β	95.529 ± 0.001°
γ	90°
Cell volume	5450.2 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	3
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	0.1576
Residual factor for significantly intense reflections	0.1323
Weighted residual factors for significantly intense reflections	0.3895
Weighted residual factors for all reflections included in the refinement	0.4123
Goodness-of-fit parameter for all reflections included in the refinement	3.3
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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