Information card for entry 7017762

Structure parameters

• Formula: C12 H14 Cl2 N2 Pd
• Calculated formula: C12 H14 Cl2 N2 Pd
• SMILES: c1(cc[n]([Pd](Cl)([n]2ccc(cc2)C)Cl)cc1)C
• Title of publication: Crystal structure, electronic properties and cytotoxic activity of palladium chloride complexes with monosubstituted pyridines.
• Authors of publication: Krogul, Agnieszka; Cedrowski, Jakub; Wiktorska, Katarzyna; Ozimiński, Wojciech P; Skupińska, Jadwiga; Litwinienko, Grzegorz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 658 - 666
• a: 10.4617 ± 0.0005 Å
• b: 3.9801 ± 0.0002 Å
• c: 15.9063 ± 0.0009 Å
• α: 90°
• β: 98.734 ± 0.004°
• γ: 90°
• Cell volume: 654.64 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0186
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No