Information card for entry 1565440

Structure parameters

• Formula: C14 H14 Cl2 N4 Pd
• Calculated formula: C14 H14 Cl2 N4 Pd
• SMILES: C1C=[N]([Pd]([N]=1Nc1ccccc1)(Cl)Cl)Nc1ccccc1
• Title of publication: Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding
• Authors of publication: Repina, Olga V.; Novikov, Alexander S.; Khoroshilova, Olesya V.; Kritchenkov, Andreii S.; Vasin, Alexander A.; Tskhovrebov, Alexander G.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119378
• a: 12.1766 ± 0.0003 Å
• b: 27.7685 ± 0.0006 Å
• c: 4.2881 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1449.92 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No