Information card for entry 7201138

Structure parameters

• Formula: C36 H48 Cl6 N2 Pd2
• Calculated formula: C36 H48 Cl6 N2 Pd2
• SMILES: [N+](C)(C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C.Cl[Pd]1(Cl)[Cl][Pd](Cl)(Cl)[Cl]1.[N+](C)(C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C
• 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: 9.494 ± 0.0019 Å
• b: 15.26 ± 0.003 Å
• c: 13.493 ± 0.003 Å
• α: 90°
• β: 99.13 ± 0.03°
• γ: 90°
• Cell volume: 1930.1 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No