Information card for entry 1550991

Structure parameters

• Formula: C141 H188 Br4 Cl10 O8 P4 Pd4
• Calculated formula: C141 H188 Br4 Cl9.9999 O8 P4 Pd4
• Title of publication: Mechanochemistry allows carrying out sensitive organometallic reactions in air: Glove-box-and-Schlenk-line-free synthesis of oxidative addition complexes from aryl halides and palladium(0)
• Authors of publication: Kubota, Koji; Takahashi, Rina; Ito, Hajime
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.8478 ± 0.0002 Å
• b: 18.2868 ± 0.0002 Å
• c: 28.8141 ± 0.0002 Å
• α: 95.321 ± 0.001°
• β: 96.59 ± 0.001°
• γ: 92.188 ± 0.001°
• Cell volume: 7208.41 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No