Information card for entry 4038008

Structure parameters

• Formula: C104 H76 B2 F8 N4 Pd
• Calculated formula: C104 H76 B2 F8 N4 Pd
• SMILES: [B](F)(F)(F)[F-].[Pd]([n]1ccc(cc1)C#CC(c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccc(cc1)C#CC(c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccc(cc1)C#CC(c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C#CC(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.
• Authors of publication: Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.039 ± 0.003 Å
• b: 15.343 ± 0.006 Å
• c: 22.08 ± 0.008 Å
• α: 72.242 ± 0.007°
• β: 81.57 ± 0.01°
• γ: 81.354 ± 0.011°
• Cell volume: 2866.6 ± 1.8 ų
• Cell temperature: 151 K
• Ambient diffraction temperature: 150.95 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 all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No