Crystallography Open Database

Information card for entry 4070866

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Coordinates	4070866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 B P
Calculated formula	C22 H28 B P
Title of publication	β-Phosphinoethylboranes as Ambiphilic Ligands in Nickel−Methyl Complexes
Authors of publication	Fischbach, Andreas; Bazinet, Patrick R.; Waterman, Rory; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1135
a	21.0388 ± 0.0019 Å
b	21.0388 ± 0.0019 Å
c	17.05 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7546.9 ± 1.3 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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