Crystallography Open Database

Information card for entry 7125296

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Coordinates	7125296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H46 Br Cl2 F4 O3 P3 Pd S
Calculated formula	C56 H46 Br Cl2 F4 O3 P3 Pd S
Title of publication	A pendant phosphorus Lewis acid: route to a palladium-benzoyl derived phosphorane.
Authors of publication	Firth, Kelly F.; Möbus, Juri; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	97
Pages of publication	13967 - 13970
a	12.108 ± 0.003 Å
b	12.5 ± 0.002 Å
c	18.24 ± 0.004 Å
α	76.07 ± 0.011°
β	74.442 ± 0.011°
γ	82.349 ± 0.011°
Cell volume	2574.3 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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