Information card for entry 7023222

Structure parameters

• Formula: C50 H41 B2 F8 N9 Pd3
• Calculated formula: C50 H41 B2 F8 N9 Pd3
• SMILES: [Pd]123([n]4cccc5ccc6ccc[n]1c6c45)[Pd]14([n]5cccc6ccc7ccc[n]1c7c56)[CH]13=[CH]2[C@@H]2[C@H](C41)C1[Pd]34([n]5cccc6ccc7ccc[n]3c7c56)[CH]1=[CH]24.[F-][B](F)(F)F.[F-][B](F)(F)F.N#CC.N#CC.N#CC.[Pd]123([n]4cccc5ccc6ccc[n]1c6c45)[Pd]14([n]5cccc6ccc7ccc[n]1c7c56)[CH]13=[CH]2[C@H]2[C@@H](C41)C1[Pd]34([n]5cccc6ccc7ccc[n]3c7c56)[CH]1=[CH]24.[F-][B](F)(F)F.[F-][B](F)(F)F.N#CC.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: 10.708 ± 0.002 Å
• b: 15.246 ± 0.004 Å
• c: 16.514 ± 0.004 Å
• α: 115.265 ± 0.005°
• β: 98.94 ± 0.004°
• γ: 98.087 ± 0.005°
• Cell volume: 2342.9 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1195
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No