Information card for entry 2220715

Structure parameters

• Chemical name: 2-(4-Pyridinio)benzimidazolium tetrachloridopalladium(II)
• Formula: C12 H11 Cl4 N3 Pd
• Calculated formula: C12 H11 Cl4 N3 Pd
• SMILES: c1cc(cc[nH+]1)c1[nH]c2ccccc2[nH+]1.[Pd](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: 2-(4-Pyridinio)benzimidazolium tetrachloridopalladium(II)
• Authors of publication: Chen, Jie; Wu, Shao-Fan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m133
• a: 8.2221 ± 0.0001 Å
• b: 8.3964 ± 0.0002 Å
• c: 12.3768 ± 0.0005 Å
• α: 94.09 ± 0.03°
• β: 97.42 ± 0.02°
• γ: 116.102 ± 0.01°
• Cell volume: 752.96 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No