Information card for entry 7201142

Structure parameters

• Formula: C36 H48 Cl4 N2 Pd
• Calculated formula: C36 H48 Cl4 N2 Pd
• SMILES: c1(C[N+](C)(Cc2ccc(cc2)C)C)ccc(cc1)C.[Pd](Cl)(Cl)([Cl-])[Cl-].[N+](C)(Cc1ccc(C)cc1)(Cc1ccc(C)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: 15.791 ± 0.003 Å
• b: 11.54 ± 0.002 Å
• c: 18.86 ± 0.004 Å
• α: 90°
• β: 93.92 ± 0.03°
• γ: 90°
• Cell volume: 3428.8 ± 1.1 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: 0.0945
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No