Information card for entry 4305507

Structure parameters

• Formula: C57 H47 Cl2 I N4 P2 Pd
• Calculated formula: C57 H47 Cl2 I N4 P2 Pd
• Title of publication: Palladium(II) Complexes of Unsymmetrical CNN Pincer Ligands
• Authors of publication: Martin Bröring; Christian Kleeberg; Silke Köhler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6404 - 6412
• a: 12.0384 ± 0.0013 Å
• b: 13.2267 ± 0.0015 Å
• c: 15.94 ± 0.002 Å
• α: 83.055 ± 0.014°
• β: 86.798 ± 0.014°
• γ: 82.664 ± 0.013°
• Cell volume: 2496.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No