Information card for entry 2212304

Structure parameters

• Chemical name: Bis(μ-3,5-diphenylpyrazolato-κ^2^N:N')bis[(4,4'-dimethyl-2,2'- bipyridine-κ^2^N,N')palladium(II)] bis(hexafluorophosphate)
• Formula: C54 H46 F12 N8 P2 Pd2
• Calculated formula: C54 H46 F12 N8 P2 Pd2
• SMILES: c1cc(C)cc2c3cc(C)cc[n]3[Pd]3([n]12)n1c(cc([n]1[Pd]1([n]2ccc(C)cc2c2cc(C)cc[n]12)[n]1n3c(cc1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis(μ-3,5-diphenylpyrazolato-κ^2^<i>N</i>:<i>N</i>')-bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] bis(hexafluorophosphate)
• Authors of publication: Hai-Ping Huang; Qiong Wu; Li-Xia Liu; Qing-Fu Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m458 - m459
• a: 38.2597 ± 0.0008 Å
• b: 38.2597 Å
• c: 12.3356 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15637.7 ± 0.8 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 6
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes