Crystallography Open Database

Information card for entry 1552406

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Coordinates	1552406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 Mg2 N4
Calculated formula	C42 H50 Mg2 N4
SMILES	CC1=[N](c2c(cccc2C)C)[Mg](N(C(=C1)C)c1c(cccc1C)C)[Mg]1N(C(=CC(C)=[N]1c1c(cccc1C)C)C)c1c(cccc1C)C
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	21.1207 ± 0.0006 Å
b	8.493 ± 0.0002 Å
c	23.5701 ± 0.0008 Å
α	90°
β	108.991 ± 0.003°
γ	90°
Cell volume	3997.8 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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