Information card for entry 4301760

Structure parameters

• Formula: C39 H36 Cl2 I3 P Pd3
• Calculated formula: C39 H36 Cl2 I3 P Pd3
• SMILES: I[Pd]123456[Pd]789%10%11(I)[Pd]%12%131(I)([CH]1C3[CH]2=[CH]4[CH]8=[CH]7[CH]%12=1)[CH]1C%11[CH]%10=[CH]9[CH]6=[CH]5[CH]%13=1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Monomers and Polymers of Tripalladium(0) Ditropylium Halides
• Authors of publication: Frank L. Mulligan; Dominic C. Babbini; Isaac R. Davis; Stephanie K. Hurst; Gary S. Nichol
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2708 - 2710
• a: 29.858 ± 0.002 Å
• b: 7.6601 ± 0.0006 Å
• c: 17.4096 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3981.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No