Information card for entry 1566799

Structure parameters

• Formula: C61 H75 N4 Y2
• Calculated formula: C61 H75 N4 Y2
• Title of publication: Isolation of the elusive bisbenzimidazole Bbim3−˙ radical anion and its employment in a metal complex
• Authors of publication: Benner, Florian; Demir, Selvan
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 10.5717 ± 0.001 Å
• b: 11.0365 ± 0.001 Å
• c: 12.4271 ± 0.0012 Å
• α: 67.8112 ± 0.0011°
• β: 87.4492 ± 0.0012°
• γ: 79.2874 ± 0.0012°
• Cell volume: 1318.6 ± 0.2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No