Information card for entry 7203322

Structure parameters

• Formula: C10 H10 Cl6 N2 Pd
• Calculated formula: C10 H10 Cl6 N2 Pd
• SMILES: c1(Cl)cc[nH+]cc1.[Pd](Cl)(Cl)([Cl-])[Cl-].c1cc(cc[nH+]1)Cl
• Title of publication: Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts
• Authors of publication: Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 425
• a: 6.9605 ± 0.0014 Å
• b: 7.3662 ± 0.0015 Å
• c: 8.6496 ± 0.0017 Å
• α: 113.41 ± 0.03°
• β: 91.97 ± 0.03°
• γ: 98.06 ± 0.03°
• Cell volume: 400.98 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No