Information card for entry 4089494

Structure parameters

• Formula: C76 H104 F48 N8 O4 P8 Pd4 S8
• Calculated formula: C74 H104 F48 N8 O4 P8 Pd4 S8
• Title of publication: Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl, Br): Involvement of Palladium(III) and Palladium(IV) Intermediates
• Authors of publication: Luo, Jia; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3343
• a: 15.2927 ± 0.0008 Å
• b: 17.3479 ± 0.0009 Å
• c: 9.7829 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2595.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No