Information card for entry 7002725

Structure parameters

• Formula: C28.5 H22.5 Cl1.5 N6 Pd2
• Calculated formula: C28.5 H22.5 Cl1.5 N6 Pd2
• SMILES: [Pd]12(c3ccccc3c3[n]1cccc3)[n]1n([Pd]3(c4ccccc4c4[n]3cccc4)[n]3n2ccc3)ccc1.C(Cl)(Cl)Cl
• Title of publication: Orthogonal non-covalent binding forces in solid state supramolecular herringbone-shaped “interlocked dimers”. Pseudopolymorphism in [(ppy)Pd(μ-pz)]2 (ppy = 2-(2-pyridyl)phenyl, pz = pyrazol-1-yl) complex
• Authors of publication: Pérez, José; Espinosa, Arturo; Galiana, J. Miguel; Pérez, Eduardo; Serrano, J. Luis; Aranda, Miguel A. G.; Insausti, Maite
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9625 - 9636
• a: 19.849 ± 0.001 Å
• b: 11.644 ± 0.001 Å
• c: 23.217 ± 0.001 Å
• α: 90°
• β: 103.188 ± 0.001°
• γ: 90°
• Cell volume: 5224.4 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No