Crystallography Open Database

Information card for entry 4112971

Preview

Coordinates	4112971.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{Me2NN]Ni(C3H7)
Formula	C24 H32 N2 Ni
Calculated formula	C24 H32 N2 Ni
Title of publication	Structure and Dynamics of Neutral β-H Agostic Nickel Alkyls: A Combined Experimental and Theoretical Study
Authors of publication	Elzbieta Kogut; Alexander Zeller; Timothy H. Warren; Thomas Strassner
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	11984 - 11994
a	13.7 ± 0.008 Å
b	12.566 ± 0.006 Å
c	14.086 ± 0.008 Å
α	90°
β	116.2 ± 0.014°
γ	90°
Cell volume	2176 ± 2 Å³
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1057
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	0.808
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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