Crystallography Open Database

Information card for entry 7125298

Preview

Coordinates	7125298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H47 Br Cl3 F4 O4 P3 Pd S
Calculated formula	C57.5 H47 Br Cl3 F4 O4 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	14.2329 ± 0.0009 Å
b	20.4798 ± 0.0013 Å
c	19.1729 ± 0.0011 Å
α	90°
β	96.688 ± 0.003°
γ	90°
Cell volume	5550.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	9
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	0.0632
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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