Crystallography Open Database

Information card for entry 4069753

Preview

Coordinates	4069753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H44 Ni P2
Calculated formula	C23 H44 Ni P2
SMILES	[Ni]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(C)C(C)c1ccccc1
Title of publication	Decomposition of Methylnickel(II) Amido, Alkoxo, and Alkyl Complexes by β-Hydrogen Elimination: A Comparative Study†
Authors of publication	Matas, Inmaculada; Cámpora, Juan; Palma, Pilar; Álvarez, Eleuterio
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	22
Pages of publication	6515
a	17.5114 ± 0.0013 Å
b	9.531 ± 0.0006 Å
c	14.5532 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2428.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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