Crystallography Open Database

Information card for entry 7133783

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Coordinates	7133783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H101.91 Al2 N4
Calculated formula	C78 H101.912 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	22.1421 ± 0.0003 Å
b	16.4913 ± 0.0002 Å
c	19.8962 ± 0.0002 Å
α	90°
β	103.435 ± 0.001°
γ	90°
Cell volume	7066.32 ± 0.15 Å³
Cell temperature	150.05 ± 0.12 K
Ambient diffraction temperature	150.05 ± 0.12 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	0.0544
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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