Crystallography Open Database

Information card for entry 4075800

Preview

Coordinates	4075800.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(μ~2~-bromo)bis((η^3^-allyl)(triisopropylphosphine)nickel) tetra(nonafluoro-tetrabutoxy)aluminate
Formula	C40 H52 Al Br F36 Ni2 O4 P2
Calculated formula	C40 H52 Al Br F36 Ni2 O4 P2
SMILES	[CH2]1=[CH]2C[Ni]12([Br][Ni]12([CH2]=[CH]1C2)[P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C.C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Title of publication	Dinuclear [{(π-C3H5)M(PR3)}2(μ-X)]Y Complexes of Nickel and Palladium†
Authors of publication	Alberti, Davide; Goddard, Richard; Pörschke, Klaus-Richard
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	16
Pages of publication	3907
a	15.0314 ± 0.0003 Å
b	17.5337 ± 0.0002 Å
c	22.1486 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5837.4 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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