Crystallography Open Database

Information card for entry 4065414

Preview

Coordinates	4065414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.94 H23 F2.82 I0.06 N2 Pd
Calculated formula	C25.941 H23 F2.823 I0.059 N2 Pd
SMILES	[Pd]1([n]2ccccc2C(c2[n]1cccc2)(c1ccccc1)C)(c1ccc(cc1)C)C(F)(F)F
Title of publication	Facial Tridentate Ligands for Stabilizing Palladium(IV) Complexes
Authors of publication	Maleckis, Ansis; Sanford, Melanie S.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	24
Pages of publication	6617
a	9.6736 ± 0.0002 Å
b	11.0702 ± 0.0002 Å
c	11.2344 ± 0.0008 Å
α	73.482 ± 0.005°
β	75.138 ± 0.005°
γ	73.681 ± 0.005°
Cell volume	1086.38 ± 0.09 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 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	0.0176
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0427
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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