Information card for entry 7023220

Structure parameters

• Formula: C32 H27 B2 F8 N5 O2 Pd2
• Calculated formula: C32 H27 B2 F8 N5 O2 Pd2
• SMILES: [Pd]123([n]4cccc5ccc6ccc[n]1c6c45)C1C4[Pd]56([n]7cccc8ccc9ccc[n]5c9c78)[CH]4=[CH]6C[CH]2=[CH]31.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=N(=O)C
• 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: 11.0157 ± 0.0013 Å
• b: 12.3275 ± 0.0015 Å
• c: 13.8358 ± 0.0017 Å
• α: 113.36 ± 0.004°
• β: 104.512 ± 0.004°
• γ: 102.553 ± 0.004°
• Cell volume: 1560.2 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No