Information card for entry 4315396

Structure parameters

• Formula: C68 H59 B2 F8 Pd3 Sb3
• Calculated formula: C68 H59 B2 F8 Pd3 Sb3
• SMILES: [Sb]([Pd]123456[Pd]789%10%11([Sb](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[Pd]%12%131([Sb](c1ccccc1)(c1ccccc1)c1ccccc1)([CH]1[CH]3=[CH]2C4[CH]8=[CH]7[CH]%12=1)[CH]1[CH]6=[CH]5[CH]%11=[CH]%10C9[CH]%13=1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 15.7531 ± 0.0013 Å
• b: 14.4881 ± 0.0012 Å
• c: 27.293 ± 0.002 Å
• α: 90°
• β: 100.617 ± 0.001°
• γ: 90°
• Cell volume: 6122.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No