Information card for entry 7250614

Structure parameters

• Formula: C73 H48 B Cu F20 N4
• Calculated formula: C73 H48 B Cu F20 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: 11.4114 ± 0.0001 Å
• b: 16.1748 ± 0.0001 Å
• c: 19.6865 ± 0.0002 Å
• α: 113.206 ± 0.001°
• β: 90.648 ± 0.001°
• γ: 94.667 ± 0.001°
• Cell volume: 3324.89 ± 0.06 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.04
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No