Crystallography Open Database

Information card for entry 7133785

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Coordinates	7133785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72.5 H93.5 Al2 N4
Calculated formula	C71 H90 Al2 N4
Title of publication	Probing the reactivity of a transient Al(I) species with substituted arenes
Authors of publication	Squire, Imogen; Tritto, Michelangelo; Morell, Juliana; Bakewell, Clare
Journal of publication	Chemical Communications
Year of publication	2024
a	15.2755 ± 0.0002 Å
b	20.21 ± 0.0002 Å
c	24.2085 ± 0.0003 Å
α	90°
β	105.824 ± 0.001°
γ	90°
Cell volume	7190.38 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.0093
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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