Information card for entry 4337375

Structure parameters

• Formula: C44 H32 F0 N4 O0 Pd S0
• Calculated formula: C44 H32 N4 Pd
• SMILES: [Pd]12([n]3c(c4ccccc4c4c(c5[n]2cccc5)cccc4)cccc3)[n]2ccccc2c2c(cccc2)c2c(c3[n]1cccc3)cccc2
• 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: 10.742 ± 0.002 Å
• b: 11.593 ± 0.002 Å
• c: 18.237 ± 0.004 Å
• α: 93.15 ± 0.03°
• β: 93.05 ± 0.03°
• γ: 97.94 ± 0.03°
• Cell volume: 2241.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1226
• Residual factor for significantly intense reflections: 0.1137
• Weighted residual factors for significantly intense reflections: 0.2863
• Weighted residual factors for all reflections included in the refinement: 0.2918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No