Crystallography Open Database

Information card for entry 2010663

2010662 << 2010663 >> 2010664

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Coordinates	2010663.cif
Structure factors	2010663.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-chloro-bis{1,2-bis(diphenylphosphino)ethane}dipalladium(II) bis(tetrafluoroborate).2CDCl~3~
Formula	C54 H48 B2 Cl8 D2 F8 P4 Pd2
Calculated formula	C54 H50 B2 Cl8 F8 P4 Pd2
SMILES	[B](F)(F)(F)[F-].C1[P](c2ccccc2)([Pd]2([P](C1)(c1ccccc1)c1ccccc1)[Cl][Pd]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Cl]2)c1ccccc1.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)(Cl)Cl
Title of publication	Inhibition of a palladium(II) catalyst upon formation of a di-μ-chloro complex: di-μ-chloro-bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']dipalladium(II) bis(tetrafluoroborate) bis(deuterochloroform) solvate
Authors of publication	Abu-Surrah, Adnan S.; Klinga, Martti; Repo, Timo; Leskelä, Markku; Debaerdemaeker, Tony; Rieger, Bernhard
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	2
Pages of publication	e44 - e45
a	10.868 ± 0.0014 Å
b	12.5889 ± 0.0016 Å
c	13.835 ± 0.002 Å
α	114.432 ± 0.013°
β	109.881 ± 0.013°
γ	95.87 ± 0.014°
Cell volume	1554 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.042
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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