Crystallography Open Database

Information card for entry 4108623

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Coordinates	4108623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H156 Al4 N2 O2 P4 Sc2
Calculated formula	C99 H156 Al4 N2 O2 P4 Sc2
Title of publication	Lewis Acid Stabilized Methylidene and Oxoscandium Complexes
Authors of publication	Jennifer Scott; Hongjun Fan; Benjamin F. Wicker; Alison R. Fout; Mu-Hyun Baik; Daniel J. Mindiola
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14438 - 14439
a	10.822 ± 0.004 Å
b	14.58 ± 0.005 Å
c	17.981 ± 0.007 Å
α	96.519 ± 0.006°
β	104.568 ± 0.005°
γ	106.793 ± 0.005°
Cell volume	2575.2 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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