Information card for entry 7720952

Structure parameters

• Formula: C91 H86 B Cl18 Cu F4 N2 O P2
• Calculated formula: C91 H86 B Cl18 Cu F4 N2 O 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: 15.4453 ± 0.0003 Å
• b: 17.0861 ± 0.0004 Å
• c: 20.7269 ± 0.0005 Å
• α: 101.982 ± 0.002°
• β: 90.252 ± 0.002°
• γ: 111.204 ± 0.002°
• Cell volume: 4969.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1684
• Residual factor for significantly intense reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.2745
• Weighted residual factors for all reflections included in the refinement: 0.2984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No