Crystallography Open Database

Information card for entry 4116635

Preview

Coordinates	4116635.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ni(dmpe)~2~(CH~3~CN)](BF~4~)~2~
Formula	C16 H38 F12 N2 Ni P6
Calculated formula	C16 H38 F12 N2 Ni P6
Title of publication	Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)
Authors of publication	Douglas E. Berning; Bruce C. Noll; Daniel L. DuBois
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	11432 - 11447
a	19.9406 ± 0.0004 Å
b	9.0706 ± 0.0002 Å
c	16.7066 ± 0.0003 Å
α	90°
β	97.49°
γ	90°
Cell volume	2995.99 ± 0.1 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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