Information card for entry 2206432

Structure parameters

• Chemical name: Dichlorobis[2-(3,5-dimethylpyrazolyl-1-carbonyl)furan]palladium(II) bis[tris(pentafluorophenyl)borane] tetrahydrate dichloromethane disolvate
• Formula: C58 H32 B2 Cl6 F30 N4 O8 Pd
• Calculated formula: C56 H28 B2 Cl2 F30 N4 O8 Pd
• SMILES: [B]([OH2])(c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F.O.[Pd]([n]1c(C)cc(C)n1C(=O)c1ccco1)([n]1c(C)cc(C)n1C(=O)c1ccco1)(Cl)Cl.[B]([OH2])(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F.O
• Title of publication: Dichlorobis[2-(3,5-dimethylpyrazolyl-1-carbonyl)furan]palladium(II) bis[aquatris(pentafluorophenyl)boron] dihydrate dichloromethane disolvate
• Authors of publication: Ilia A. Guzei; Stephen O. Ojwach; James Darkwa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1492 - m1494
• a: 10.4595 ± 0.0004 Å
• b: 12.5105 ± 0.0005 Å
• c: 13.6969 ± 0.0006 Å
• α: 81.169 ± 0.001°
• β: 77.571 ± 0.001°
• γ: 83.037 ± 0.001°
• Cell volume: 1722.3 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes