Crystallography Open Database

Information card for entry 1577082

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Coordinates	1577082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.03 H96.07 Al4 N2 Si2
Calculated formula	C56.036 H96.084 Al4 N2 Si2
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	16.1442 ± 0.0009 Å
b	16.3268 ± 0.001 Å
c	22.4903 ± 0.0015 Å
α	90°
β	96.065 ± 0.004°
γ	90°
Cell volume	5894.9 ± 0.6 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
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	0.1142
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.1915
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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