Crystallography Open Database

Information card for entry 7133782

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Coordinates	7133782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H100 Al2 N4
Calculated formula	C79 H100 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	13.1124 ± 0.0004 Å
b	13.4322 ± 0.0004 Å
c	21.3152 ± 0.0007 Å
α	75.831 ± 0.003°
β	82.021 ± 0.003°
γ	75.106 ± 0.003°
Cell volume	3506.2 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0537
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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