Information card for entry 2230342

Structure parameters

• Chemical name: [4'-(4-Aminophenyl)-2,2':6',2''-terpyridine]chloridopalladium(II) chloride
• Formula: C21 H16 Cl2 N4 Pd
• Calculated formula: C21 H16 Cl2 N4 Pd
• SMILES: [Pd]12(Cl)[n]3ccccc3c3cc(cc([n]13)c1cccc[n]21)c1ccc(N)cc1.[Cl-]
• Title of publication: [4'-(4-Aminophenyl)-2,2':6',2''-terpyridine]chloridopalladium(II) chloride
• Authors of publication: Thomas, John C.; Tiekink, Edward R. T.; Walmsley, Judith A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m773 - m774
• a: 10.853 ± 0.003 Å
• b: 13.151 ± 0.003 Å
• c: 13.654 ± 0.003 Å
• α: 90°
• β: 105.215 ± 0.006°
• γ: 90°
• Cell volume: 1880.5 ± 0.8 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes