Information card for entry 4316453

Structure parameters

• Formula: C34 H44 Cl3 N3 O6 Pd3 S2
• Calculated formula: C34 H44 Cl3 N3 O6 Pd3 S2
• SMILES: [Pd]12([S]3C4=[S]1[Pd]1([O]=C(C4=C(O[Pd]43[N](Cc3c4cccc3)(C)C)C)C)[N](Cc3c1cccc3)(C)C)[N](Cc1c2cccc1)(C)C.Cl(=O)(=O)(=O)[O-].C(Cl)Cl
• Title of publication: 2-(Aminomethyl)phenyl Complexes of Au(III), Mixed Au(III)/Ag(I), and Pd(II) with the 2,2-Diacetyl-1,1-Ethylenedithiolato Ligand: Dancing of Palladacycles around a Juggler Ligand
• Authors of publication: José Vicente; María-Teresa Chicote; Eloísa Martínez-Viviente; Antonio-Jesús Martínez-Martínez; Nicolás Sánchez-Moya; Peter G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8099 - 8111
• a: 12.0425 ± 0.0011 Å
• b: 13.1177 ± 0.0011 Å
• c: 13.2231 ± 0.0011 Å
• α: 92.137 ± 0.004°
• β: 95.079 ± 0.004°
• γ: 105.373 ± 0.004°
• Cell volume: 2002.2 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No