Crystallography Open Database

Information card for entry 1552410

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Coordinates	1552410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H164 Mg4 N8
Calculated formula	C176 H164 Mg4 N8
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	34.388 ± 0.002 Å
b	12.2868 ± 0.0007 Å
c	33.068 ± 0.002 Å
α	90°
β	104.897 ± 0.006°
γ	90°
Cell volume	13502.2 ± 1.4 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	0.2673
Residual factor for significantly intense reflections	0.1365
Weighted residual factors for significantly intense reflections	0.3731
Weighted residual factors for all reflections included in the refinement	0.4485
Goodness-of-fit parameter for all reflections included in the refinement	1.26
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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