Information card for entry 7201141

Structure parameters

• Formula: C36 H48 Cl4 N2 Pd
• Calculated formula: C36 H48 Cl4 N2 Pd
• SMILES: [N+](CC)(CC)(Cc1ccccc1)Cc1ccccc1.Cl[Pd](Cl)([Cl-])[Cl-].[N+](CC)(CC)(Cc1ccccc1)Cc1ccccc1
• Title of publication: The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts
• Authors of publication: Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2344
• a: 8.534 ± 0.0017 Å
• b: 10.496 ± 0.002 Å
• c: 10.809 ± 0.002 Å
• α: 67.6 ± 0.03°
• β: 75.21 ± 0.03°
• γ: 79.37 ± 0.03°
• Cell volume: 861.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No