Information card for entry 1569721

Structure parameters

• Formula: C58 H50 Cl6 Mn2 O10 P2
• Calculated formula: C58 H50 Cl6 Mn2 O10 P2
• Title of publication: Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.
• Authors of publication: Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 10446 - 10457
• a: 8.6233 ± 0.0014 Å
• b: 18.799 ± 0.003 Å
• c: 19.623 ± 0.003 Å
• α: 113.171 ± 0.005°
• β: 95.078 ± 0.006°
• γ: 93.304 ± 0.005°
• Cell volume: 2898.1 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1052
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No