Information card for entry 4337384

Structure parameters

• Formula: C14.67 H12 Cl4 N2.67 Pd1.33
• Calculated formula: C14.6667 H12 Cl4 N2.66667 Pd1.33333
• SMILES: [Pd]1([n]2c(c3[n]1cccc3)cccc2)(Cl)C(Cl)Cl
• Title of publication: Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.
• Authors of publication: Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1690 - 1698
• a: 28.064 ± 0.004 Å
• b: 28.064 ± 0.004 Å
• c: 6.6762 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5258.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No