Crystallography Open Database

Information card for entry 1552412

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Coordinates	1552412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C198 H174 Mg6 N12
Calculated formula	C198 H174 Mg6 N12
Title of publication	Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium
Authors of publication	Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas
Journal of publication	Chemical Science
Year of publication	2019
a	18.2173 ± 0.0008 Å
b	30.2552 ± 0.0011 Å
c	33.8828 ± 0.0013 Å
α	90°
β	102.678 ± 0.004°
γ	90°
Cell volume	18219.8 ± 1.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1505
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2212
Weighted residual factors for all reflections included in the refinement	0.2648
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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