Information card for entry 7051136

Structure parameters

• Formula: C12 H11 F3 N4 O3 Pd S
• Calculated formula: C12 H11 F3 N4 O3 Pd S
• Title of publication: New complexes with pyrazole-containing ligands and different metallic centres. Comparative study of their fluxional behaviour involving M‒N bond rupture
• Authors of publication: José Elguero; Ana Guerrero; Felipe Gómez de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana Rodríguez
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1050 - 1060
• a: 7.623 ± 0.004 Å
• b: 10.1347 ± 0.0008 Å
• c: 11.927 ± 0.001 Å
• α: 66.511 ± 0.008°
• β: 79.73 ± 0.02°
• γ: 81.53 ± 0.02°
• Cell volume: 828.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No