Information card for entry 4077379

Structure parameters

• Formula: C32.4163 H52.167 B2.1667 F8.6667 N12 O4.75 Pd2
• Calculated formula: C32.4163 H41.499 B2.16667 F8.66667 N12 O4.583 Pd2
• Title of publication: Novel Methylpalladium(II) Complexes Bearing Tridentate Imidazole-Based Chelate Ligands: Synthesis, Structural Characterization, and Reactivity
• Authors of publication: Rüther, Thomas; Done, Melanie C.; Cavell, Kingsley J.; Peacock, Evan J.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5522
• a: 25.829 ± 0.002 Å
• b: 25.829 ± 0.002 Å
• c: 69.505 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 40157 ± 5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections: 1.825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No