Information card for entry 7050696

Structure parameters

• Formula: C55 H50 B Cu N6 O
• Calculated formula: C55 H50 B Cu N6 O
• SMILES: [Cu]123[n]4ccccc4C(=[N]1N=C(C(=N[N]2=C(C)c1cccc[n]31)c1ccccc1)c1ccccc1)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)(C)C
• Title of publication: The electrooxidation of the tetraphenylborate ion revisited
• Authors of publication: Pal, Pankaj K.; Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 367
• a: 10.779 ± 0.017 Å
• b: 13.887 ± 0.017 Å
• c: 16.42 ± 0.02 Å
• α: 87.558 ± 0.01°
• β: 80.704 ± 0.01°
• γ: 83.014 ± 0.01°
• Cell volume: 2407 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1656
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No