Information card for entry 4300034

Structure parameters

• Formula: C22 H10 F8 N6 Pd
• Calculated formula: C22 H10 F8 N6 Pd
• SMILES: [Pd]1([n]2cnc(cc2[n]2[n]1ccc2)n1nccc1)(c1c(cc(c(c1F)F)F)F)c1c(c(c(cc1F)F)F)F
• Title of publication: Pd(II) Complexes with Polydentate Nitrogen Ligands. Molecular Recognition and Dynamic Behavior Involving Pd-N Bond Rupture. X-ray Molecular Structures of [{Pd(C~6~HF~4~)~2~}(bpzm)] and [{PdΜ^3^-(C~4~H~7~)}~2~(bpzm)]CF~3~SO~3~)~2~ [bpzpm = 4,6-Bis(pyrazol-1-yl)pyrimidine]
• Authors of publication: Felipe Gómez-de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana M. Rodríguez; José Elguero; Martín Martínez-Ripoll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1152 - 1162
• a: 8.845 ± 0.006 Å
• b: 12.6609 ± 0.0009 Å
• c: 12.826 ± 0.003 Å
• α: 88.45 ± 0.02°
• β: 74.36 ± 0.03°
• γ: 89.32 ± 0.02°
• Cell volume: 1382.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2452
• Weighted residual factors for all reflections included in the refinement: 0.3077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No