Crystallography Open Database

Information card for entry 4113869

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Structure parameters

Chemical name	Bis(dicyclohexyl(2-biphenylyl)phosphine)palladium(0)
Formula	C48 H62 P2 Pd
Calculated formula	C48 H62 P2 Pd
SMILES	[Pd]([P](C1CCCCC1)(C1CCCCC1)c1ccccc1c1ccccc1)[P](C1CCCCC1)(C1CCCCC1)c1ccccc1c1ccccc1
Title of publication	A Dicoordinate Palladium(0) Complex with an Unusual Intramolecular η1-Arene Coordination
Authors of publication	Steven M. Reid; Robert C. Boyle; Joel T. Mague; Mark J. Fink
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	7816 - 7817
a	10.4353 ± 0.001 Å
b	10.5321 ± 0.0005 Å
c	20.91 ± 0.002 Å
α	101.872 ± 0.006°
β	97.271 ± 0.009°
γ	109.371 ± 0.006°
Cell volume	2073.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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