Information card for entry 7720954

Structure parameters

• Formula: C75 H72 B Cu F4 N2 O2.5 P2
• Calculated formula: C75 H72 B Cu F4 N2 O2.5 P2
• Title of publication: Photoactive four-coordinate copper(i) complexes based on chelating diimine, diphosphine, and diisocyanide ligands with high excited-state energies
• Authors of publication: Eggenweiler, Tim H.; Prescimone, Alessandro; Häussinger, Daniel; Wenger, Oliver S.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 12.4724 ± 0.0003 Å
• b: 24.5962 ± 0.0007 Å
• c: 21.6817 ± 0.0005 Å
• α: 90°
• β: 104.631 ± 0.002°
• γ: 90°
• Cell volume: 6435.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No