Crystallography Open Database

Information card for entry 4066345

Preview

Coordinates	4066345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H86 Al3 N5
Calculated formula	C61 H86 Al3 N5
Title of publication	Reactions of an Aluminum Amide with Aromatic Nitriles: Formation of Al−N−C Frameworks
Authors of publication	Maheswari, K.; Rajendran, N. M.; Meyer, Jens; Reddy, N. Dastagiri
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	17
Pages of publication	3799
a	12.2943 ± 0.0005 Å
b	28.7826 ± 0.0011 Å
c	34.8658 ± 0.0014 Å
α	97.869 ± 0.003°
β	95.239 ± 0.003°
γ	101.317 ± 0.003°
Cell volume	11894.8 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.3075
Residual factor for significantly intense reflections	0.1154
Weighted residual factors for significantly intense reflections	0.2944
Weighted residual factors for all reflections included in the refinement	0.3484
Goodness-of-fit parameter for all reflections included in the refinement	0.857
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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