Information card for entry 7023219

Structure parameters

• Formula: C16 H22 B2 Cl2 F8 N4 Pd2
• Calculated formula: C16 H22 B2 Cl2 F8 N4 Pd2
• SMILES: [Pd]12([N]#CC)([N]#CC)C3CC4[Pd]5([N]#CC)([N]#CC)[CH]([CH]2=[CH]13)=[CH]45.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 6.9325 ± 0.0008 Å
• b: 21.863 ± 0.002 Å
• c: 17.529 ± 0.0018 Å
• α: 90°
• β: 103.236 ± 0.003°
• γ: 90°
• Cell volume: 2586.2 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No