Crystallography Open Database

Information card for entry 7701248

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Coordinates	7701248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 Al2 N2
Calculated formula	C42 H58 Al2 N2
Title of publication	A bis(aluminocenophane) with a short aluminum-aluminum single bond.
Authors of publication	Haider, Wasim; Andrada, Diego M.; Bischoff, Inga-Alexandra; Huch, Volker; Schäfer, André
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	40
Pages of publication	14953 - 14957
a	11.2373 ± 0.0004 Å
b	13.3899 ± 0.0004 Å
c	14.1649 ± 0.0005 Å
α	63.716 ± 0.0013°
β	70.0821 ± 0.0013°
γ	80.4239 ± 0.0013°
Cell volume	1796.37 ± 0.11 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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	0.0747
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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