Crystallography Open Database

Information card for entry 4115035

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Coordinates	4115035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H55 Fe N P2 Pd
Calculated formula	C36 H55 Fe N P2 Pd
Title of publication	Synthesis, Characterization, and Reactivity of Arylpalladium Cyanoalkyl Complexes: Selection of Catalysts for the α-Arylation of Nitriles
Authors of publication	Darcy A. Culkin; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	9330 - 9331
a	14.3398 ± 0.0005 Å
b	16.7219 ± 0.0004 Å
c	14.9078 ± 0.0004 Å
α	90°
β	97.737 ± 0.001°
γ	90°
Cell volume	3542.18 ± 0.18 Å³
Cell temperature	183.2 K
Ambient diffraction temperature	183.2 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 significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0477
Goodness-of-fit parameter for significantly intense reflections	2.305
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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