Information card for entry 7720951

Structure parameters

• Formula: C99.6 H115 B Cu F4 N4 O3.8
• Calculated formula: C92 H96 B Cu F4 N4
• 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: 14.6955 ± 0.0004 Å
• b: 26.9442 ± 0.0007 Å
• c: 24.5086 ± 0.0006 Å
• α: 90°
• β: 104.195 ± 0.002°
• γ: 90°
• Cell volume: 9408.1 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.1416
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.273
• Weighted residual factors for all reflections included in the refinement: 0.2883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No