Information card for entry 7021865

Structure parameters

• Formula: C27 H24 Cl2 N6 O4 Pd2
• Calculated formula: C27 H24 Cl2 N6 O4 Pd2
• SMILES: [Pd]12([N]3=C(CCC3=O)O[Pd]3([n]4n(c5c3cccc5)ccc4)[N]3=C(O1)CCC3=O)[n]1n(c3c2cccc3)ccc1.ClCCl
• 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: 8.9145 ± 0.0004 Å
• b: 10.8879 ± 0.0004 Å
• c: 15.3871 ± 0.0008 Å
• α: 103.079 ± 0.001°
• β: 90.541 ± 0.001°
• γ: 107.235 ± 0.001°
• Cell volume: 1384.71 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No