Crystallography Open Database

Information card for entry 1573189

Preview

Coordinates	1573189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H40 Al2 Br5 N
Calculated formula	C22 H40 Al2 Br5 N
SMILES	Br[Al]1(Br)[Br][Al](Br)(Br)c2c1cccc2.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Authors of publication	Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Chemical science
Year of publication	2024
Journal volume	16
Journal issue	1
Pages of publication	147 - 155
a	9.4049 ± 0.0004 Å
b	16.9807 ± 0.0006 Å
c	10.3837 ± 0.0004 Å
α	90°
β	108.989 ± 0.004°
γ	90°
Cell volume	1568.05 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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