Crystallography Open Database

Information card for entry 1577084

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Coordinates	1577084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H88 Al5 N2
Calculated formula	C60 H88 Al5 N2
Title of publication	Aluminylation: a generalizable route towards low-valent aluminum under moderate conditions with controlled product nuclearity through precursor design.
Authors of publication	Reuel, Paris C.; Shandilya, Yogesh; Wattoo, M. Talha; Altman, Alison B.
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	20
Pages of publication	10251 - 10259
a	10.9764 ± 0.0009 Å
b	13.9661 ± 0.0012 Å
c	21.8278 ± 0.0019 Å
α	103.5 ± 0.005°
β	93.255 ± 0.005°
γ	111.999 ± 0.004°
Cell volume	2977.9 ± 0.5 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 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	0.1277
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.2101
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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