Crystallography Open Database

Information card for entry 1577086

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Coordinates	1577086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.99 H101.98 Al2 N4
Calculated formula	C64.99 H93.98 Al2 N4
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
a	12.402 ± 0.0005 Å
b	10.7732 ± 0.0004 Å
c	24.5107 ± 0.001 Å
α	90°
β	99.104 ± 0.002°
γ	90°
Cell volume	3233.6 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.216
Weighted residual factors for all reflections included in the refinement	0.2485
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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