Crystallography Open Database

Information card for entry 7108336

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Coordinates	7108336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H80 Al F2 N P2
Calculated formula	C54 H80 Al F2 N P2
Title of publication	Alkynide and acetonitrile activation by strained AlPC2 heterocycles
Authors of publication	Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	9616
a	12.029 ± 0.0003 Å
b	13.5846 ± 0.0003 Å
c	18.2054 ± 0.0004 Å
α	76.013 ± 0.001°
β	85.932 ± 0.001°
γ	63.74 ± 0.001°
Cell volume	2586.59 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.1823
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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