Crystallography Open Database

Information card for entry 7062674

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Coordinates	7062674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H67 Al3 Cl13 N9 O13
Calculated formula	C49 H67 Al3 Cl13 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	12.8674 ± 0.0002 Å
b	25.1293 ± 0.0004 Å
c	22.9381 ± 0.0003 Å
α	90°
β	91.81 ± 0.001°
γ	90°
Cell volume	7413.31 ± 0.19 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 K
Number of distinct elements	6
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	0.0526
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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