Information card for entry 7201143

Structure parameters

• Formula: C36 H48 Cl6 N2 Pd2
• Calculated formula: C36 H48 Cl6 N2 Pd2
• SMILES: [Pd]1(Cl)(Cl)[Cl][Pd]([Cl]1)(Cl)Cl.[N+](CC)(CC)(Cc1ccccc1)Cc1ccccc1.[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: 14.488 ± 0.003 Å
• b: 16.31 ± 0.003 Å
• c: 17.107 ± 0.003 Å
• α: 90°
• β: 105.13 ± 0.03°
• γ: 90°
• Cell volume: 3902.2 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No