Information card for entry 4107986

Structure parameters

• Formula: C28 H41 B2 F8 N3 Pd3
• Calculated formula: C28 H41 B2 F8 N3 Pd3
• SMILES: [Pd]12345([Pd]6789([Pd]%10%111([N]#CC)([CH]1[CH]7=[CH]6[CH]3=[CH]2C([CH]%10=1)C(C)(C)C)[CH]1[CH]9=[CH]8[CH]5=[CH]4C([CH]%11=1)C(C)(C)C)[N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Reductive Coupling of Metal Triangles in Sandwich Complexes
• Authors of publication: Tetsuro Murahashi; Yasuhiro Hashimoto; Koji Chiyoda; Mayu Fujimoto; Tomohito Uemura; Ryou Inoue; Sensuke Ogoshi; Hideo Kurosawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8586 - 8587
• a: 7.2569 ± 0.0003 Å
• b: 21.5621 ± 0.0008 Å
• c: 22.2397 ± 0.0007 Å
• α: 90°
• β: 95.791 ± 0.001°
• γ: 90°
• Cell volume: 3462.2 ± 0.2 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• 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: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No