Information card for entry 4301759

Structure parameters

• Formula: C40 H37 Br3 N P Pd3
• Calculated formula: C40 H37 Br3 N P Pd3
• SMILES: [Pd]123456([Pd]789%10([Pd]%11%12%131(Br)(C1[CH]7=[CH]8[CH]2=[CH]3[CH]%11=[CH]%121)[CH]1C6[CH]5=[CH]4[CH]%10=[CH]9[CH]%13=1)Br)Br.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• 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: 7.55 ± 0.003 Å
• b: 30.138 ± 0.011 Å
• c: 16.293 ± 0.006 Å
• α: 90°
• β: 90.838 ± 0.006°
• γ: 90°
• Cell volume: 3707 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1433
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No