Information card for entry 2219080

Structure parameters

• Chemical name: [μ~3~-2,2,4,4,6,6-Hexakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^- 1,3,5,2,4,6-triazatriphosphinine]tris[<i>cis</i>-dichloridopalladium(II)]
• Formula: C30 H42 Cl6 N15 P3 Pd3
• Calculated formula: C30 H42 Cl6 N15 P3 Pd3
• SMILES: c1(cc(C)[n]2n1P1(=NP3(=NP4(=N1)n1c(cc(C)[n]1[Pd](Cl)([n]1c(cc(C)n41)C)Cl)C)n1c(cc(C)[n]1[Pd](Cl)([n]1c(cc(C)n31)C)Cl)C)n1c(cc(C)[n]1[Pd]2(Cl)Cl)C)C
• Title of publication: [μ~3~-2,2,4,4,6,6-Hexakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^-1,3,5,2,4,6-triazatriphosphinine]tris[<i>cis</i>-dichloridopalladium(II)]
• Authors of publication: Yun, Sung Yol; Lee, Soon W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1084
• a: 17.2989 ± 0.0003 Å
• b: 17.2989 ± 0.0003 Å
• c: 14.4545 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3746.03 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes