Information card for entry 1574089

Structure parameters

• Chemical name: salt [1](I)2
• Formula: C39 H42 I2 N6 O4
• Calculated formula: C39 H42 I2 N6 O4
• Title of publication: Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple
• Authors of publication: Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 6257 - 6264
• a: 14.2539 ± 0.0012 Å
• b: 17.2346 ± 0.0016 Å
• c: 17.3593 ± 0.0017 Å
• α: 106.528 ± 0.003°
• β: 102.26 ± 0.003°
• γ: 90.213 ± 0.003°
• Cell volume: 3985.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0799
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No