Crystallography Open Database

Information card for entry 4122026

4122025 << 4122026 >> 4122027

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Coordinates	4122026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H52 Al N3
Calculated formula	C33 H52.4 Al N3
Title of publication	Oxidative Addition of σ Bonds to an Al(I) Center.
Authors of publication	Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	25
Pages of publication	9195 - 9202
a	8.9717 ± 0.0003 Å
b	19.8654 ± 0.0007 Å
c	10.1194 ± 0.0004 Å
α	90°
β	113.658 ± 0.002°
γ	90°
Cell volume	1651.97 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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