Information card for entry 2240197

Structure parameters

• Chemical name: Tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)palladium(II) dichloride
• Formula: C12 H16 Cl2 N8 Pd
• Calculated formula: C12 H16 Cl2 N8 Pd
• SMILES: c1cc[n]([nH]1)[Pd]([n]1ccc[nH]1)([n]1ccc[nH]1)[n]1ccc[nH]1.[Cl-].[Cl-]
• Title of publication: Unexpected formation and crystal structure of tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)palladium(II) dichloride
• Authors of publication: Wagner, Thomas; Christiansen, Nena; Hrib, Cristian G.; Kaufmann, Dieter E.; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 486 - 488
• a: 13.797 ± 0.003 Å
• b: 9.656 ± 0.0019 Å
• c: 14.174 ± 0.003 Å
• α: 90°
• β: 117.8 ± 0.03°
• γ: 90°
• Cell volume: 1670.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes