Information card for entry 7023221

Structure parameters

• Formula: C48 H38 F12 N8 P2 Pd3
• Calculated formula: C48 H38 F12 N8 P2 Pd3
• SMILES: [Pd]1234([n]5cccc6ccc7ccc[n]1c7c56)[Pd]156([n]7cccc8ccc9ccc[n]1c9c78)[Pd]178([n]9cccc%10ccc%11ccc[n]1c%11c9%10)[CH]1=[CH]5[CH]4=[CH]3[CH]2=[CH]6[CH]8=[CH]71.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Trinuclear palladium addition to unsaturated carbocycles.
• Authors of publication: Murahashi, Tetsuro; Takase, Kohei; Usui, Kentaro; Kimura, Seita; Fujimoto, Mayu; Uemura, Tomohito; Ogoshi, Sensuke; Yamamoto, Koji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10626 - 10632
• a: 11.8333 ± 0.0007 Å
• b: 14.0677 ± 0.0007 Å
• c: 15.8338 ± 0.0007 Å
• α: 70.703 ± 0.001°
• β: 89.832 ± 0.001°
• γ: 70.362 ± 0.001°
• Cell volume: 2325.6 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No