Information card for entry 7250615

Structure parameters

• Formula: C81 H59 B Cu F24 N4
• Calculated formula: C81 H59 B Cu F24 N4
• Title of publication: Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media
• Authors of publication: Tomita, Ryunosuke; Jin, Mingoo
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 33
• Pages of publication: 5618 - 5624
• a: 13.43416 ± 0.00005 Å
• b: 19.85881 ± 0.00007 Å
• c: 28.77729 ± 0.0001 Å
• α: 90°
• β: 93.4025 ± 0.0003°
• γ: 90°
• Cell volume: 7663.86 ± 0.05 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No