Information card for entry 7201140

Structure parameters

• Formula: C36 H48 Cl6 N2 Pd2
• Calculated formula: C36 H48 Cl6 N2 Pd2
• SMILES: [N+](C)(C)(Cc1ccccc1C)Cc1ccccc1C.Cl[Pd]1(Cl)[Cl][Pd](Cl)(Cl)[Cl]1.[N+](C)(C)(Cc1ccccc1C)Cc1ccccc1C
• 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: 10.332 ± 0.002 Å
• b: 10.381 ± 0.002 Å
• c: 11.125 ± 0.002 Å
• α: 107.93 ± 0.03°
• β: 105.75 ± 0.03°
• γ: 109.92 ± 0.03°
• Cell volume: 968.3 ± 0.6 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: 0.0514
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No