Information card for entry 4107987

Structure parameters

• Formula: C38 H43 B2 F8 N5 Pd6
• Calculated formula: C38 H43 B2 F8 N5 Pd6
• SMILES: [Pd]12345([Pd]6789%10([Pd]%11%121%13([Pd]1%14%15%16%17%18[Pd]%19%20%21%22%23([Pd]%24%251([N]#CC)([CH]1[CH]%16=[CH]%17C%18[CH]%20=[CH]%21[CH]%24=1)[CH]1[CH]%15=[CH]%14C%23[CH]%22=[CH]%19[CH]%25=1)[N]#CC)([CH]1C%10[CH]7=[CH]6[CH]2=[CH]3[CH]%12=1)[CH]1[CH]9=[CH]8[CH]4=[CH]5C%13[CH]%11=1)[N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC
• 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: 11.4203 ± 0.0004 Å
• b: 13.8401 ± 0.0006 Å
• c: 14.353 ± 0.0006 Å
• α: 83.787 ± 0.0012°
• β: 77.022 ± 0.0013°
• γ: 71.287 ± 0.0014°
• Cell volume: 2092.19 ± 0.15 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 10.799
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No