Information card for entry 4315395

Structure parameters

• Formula: C68 H59 As3 B2 F8 Pd3
• Calculated formula: C68 H59 As3 Pd3
• SMILES: [As]([Pd]12345[Pd]6789%10([As](c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11)[Pd]%11%121([As](c1ccccc1)(c1ccccc1)c1ccccc1)([CH]1=C[CH]7=[CH]6[CH]2=[CH]3C%111)[CH]1[CH]%10=[CH]9C8[CH]4=[CH]5[CH]%12=1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 32.5623 ± 0.0012 Å
• b: 27.1922 ± 0.001 Å
• c: 15.4222 ± 0.0006 Å
• α: 90°
• β: 111.955 ± 0.002°
• γ: 90°
• Cell volume: 12665.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No