Crystallography Open Database

Information card for entry 7049322

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Coordinates	7049322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H73 B F24 P3 Pd
Calculated formula	C68 H73 B F24 P3 Pd
Title of publication	Oxidation reactions of a nucleophilic palladium carbene: mono and bi-radical carbenes.
Authors of publication	Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	26
Pages of publication	9663 - 9668
a	13.6492 ± 0.0007 Å
b	17.844 ± 0.0009 Å
c	18.4747 ± 0.0009 Å
α	66.0282 ± 0.0014°
β	76.756 ± 0.0015°
γ	88.0975 ± 0.0015°
Cell volume	3993.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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