Information card for entry 1566800

Structure parameters

• Formula: C84 H128 K N6 O9 Y2
• Calculated formula: C84 H128 K N6 O9 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: 13.03 ± 0.0002 Å
• b: 18.0681 ± 0.0004 Å
• c: 18.371 ± 0.0003 Å
• α: 86.907 ± 0.002°
• β: 78.05 ± 0.001°
• γ: 76.349 ± 0.002°
• Cell volume: 4111.72 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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 all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No