Information card for entry 4074453

Structure parameters

• Formula: C36 H44 N8 O12 Pd2 S2
• Calculated formula: C36 H44 N8 O12 Pd2 S2
• SMILES: [Pd]12(=C3N(CN4C=1N(C=C4)C)C=CN3C)[O]=C(O[Pd]1([O]=C(O2)C)=C2N(CN3C=1N(C=C3)C)C=CN2C)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.O.O
• Title of publication: Cationic Palladium Bis-carbene Carboxylate Complexes
• Authors of publication: Slootweg, J. Chris; Chen, Peter
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5863
• a: 14.2381 ± 0.0005 Å
• b: 22.7148 ± 0.0007 Å
• c: 14.3902 ± 0.0004 Å
• α: 90°
• β: 114.763 ± 0.002°
• γ: 90°
• Cell volume: 4226.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No