Crystallography Open Database

Information card for entry 7062673

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Coordinates	7062673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H104 Al3 Cl N9 O13
Calculated formula	C72 H104 Al3 Cl N9 O13
Title of publication	Syntheses and ligand exchange experiments of N,N-dialkylcarbamate bridged {Al3(μ3-O)}7+ complexes
Authors of publication	Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	36
Pages of publication	16981 - 16992
a	25.0203 ± 0.0009 Å
b	22.6402 ± 0.0006 Å
c	27.641 ± 0.0011 Å
α	90°
β	105.685 ± 0.003°
γ	90°
Cell volume	15074.6 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0831
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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