Information card for entry 2312966

Structure parameters

• Common name: hexakis(antipyrine)lead(II) triflate
• Chemical name: Hexakis(1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one-κ<i>O</i>)lead(II) bis(trifluoromethanesulfonate)
• Formula: C68 H72 F6 N12 O12 Pb S2
• Calculated formula: C68 H72 F6 N12 O12 Pb S2
• Title of publication: Structures of hexakis(antipyrine)lead(II) complexes: the first example of the stereochemically active and inactive 6s² lone pair for one lead(II) complex.
• Authors of publication: Łyczko, Krzysztof; Łyczko, Monika
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 524 - 533
• a: 18.6661 ± 0.0002 Å
• b: 15.0343 ± 0.0001 Å
• c: 25.8596 ± 0.0003 Å
• α: 90°
• β: 96.16 ± 0.001°
• γ: 90°
• Cell volume: 7215.12 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes