Information card for entry 7021861

Structure parameters

• Formula: C22 H20 N4 O4 Pd2
• Calculated formula: C22 H20 N4 O4 Pd2
• SMILES: O1C(=[O][Pd]23(OC(=[O][Pd]413[n]1n(c3c4cccc3)ccc1)C)[n]1n(ccc1)c1c2cccc1)C
• Title of publication: New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.
• Authors of publication: Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 156 - 168
• a: 11.7292 ± 0.0003 Å
• b: 11.7292 ± 0.0003 Å
• c: 27.8342 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3316.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No