Information card for entry 7110253

Structure parameters

• Formula: C22 H26 B2 F8 O2 Pd3
• Calculated formula: C22 H22 B2 F8 O2 Pd3
• SMILES: [Pd]123456[Pd]789%10([Pd]%11%12%13%14([CH]%15=[CH]8[CH]7=[CH]3[CH]2=[CH]1[CH]%12=[CH]%11%15)[CH]1=[CH]%10[CH]9=[CH]6[CH]5=[CH]4[CH]%14=[CH]%131)[OH2].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.c1ccccc1
• Title of publication: Bis-cyclooctatetraene tripalladium sandwich complexes
• Authors of publication: Tetsuro Murahashi; Seita Kimura; Kohei Takase; Tomohito Uemura; Sensuke Ogoshi; Koji Yamamoto
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 820
• a: 10.0392 ± 0.0006 Å
• b: 16.3516 ± 0.001 Å
• c: 14.6824 ± 0.0008 Å
• α: 90°
• β: 93.4204 ± 0.0016°
• γ: 90°
• Cell volume: 2405.9 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No