Crystallography Open Database

Information card for entry 4063269

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Coordinates	4063269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H45 B F24 N4 Pd
Calculated formula	C59 H45 B F24 N4 Pd
Title of publication	Phosphine- and Pyridine-Functionalized N-Heterocyclic Carbene Methyl and Allyl Complexes of Palladium. Unexpected Regiospecificity of the Protonation Reaction of the Dimethyl Complexes
Authors of publication	Andreas A. Danopoulos; Nikolaos Tsoureas; Stuart A. Macgregor; Christopher Smith
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Pages of publication	253 - 263
a	24.5559 ± 0.0008 Å
b	19.7453 ± 0.0007 Å
c	25.285 ± 0.008 Å
α	90°
β	97.34 ± 0.001°
γ	90°
Cell volume	12159 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1526
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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