Crystallography Open Database

Information card for entry 4135023

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Coordinates	4135023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H69 Al N P3 Sc
Calculated formula	C51 H69 Al N P3 Sc
Title of publication	Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.
Authors of publication	Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	16.6374 ± 0.0007 Å
b	17.6783 ± 0.0007 Å
c	33.7373 ± 0.0014 Å
α	90°
β	97.683 ± 0.001°
γ	90°
Cell volume	9833.8 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0736
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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