Information card for entry 4315394

Structure parameters

• Formula: C68 H59 B2 F8 P3 Pd3
• Calculated formula: C68 H59 B1.5 F6 P3 Pd3
• Title of publication: Effect of Pnictogen Ligand Substitution on a Tripalladium Ditropylium Core
• Authors of publication: Dominic C. Babbini; Frank L. Mulligan; Hannah R. Schulhauser; Tara C. Sweigart; Gary S. Nichol; Stephanie K. Hurst
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4307 - 4312
• a: 14.9823 ± 0.0009 Å
• b: 27.0746 ± 0.0015 Å
• c: 30.441 ± 0.002 Å
• α: 90°
• β: 96.119 ± 0.004°
• γ: 90°
• Cell volume: 12277.7 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No