Information card for entry 7021864

Structure parameters

• Formula: C26 H24 N8 Pd2 S2
• Calculated formula: C26 H24 N8 Pd2 S2
• SMILES: n1(C)cc[n]([Pd]23[n]4n(c5c2cccc5)ccc4)c1S[Pd]1(c2ccccc2n2[n]1ccc2)[n]1ccn(C)c1S3
• 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: 11.1797 ± 0.0005 Å
• b: 17.5215 ± 0.0007 Å
• c: 26.8062 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5250.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No