Information card for entry 7059142

Structure parameters

• Formula: C56 H41 B Cl3 Cu F4 N4 O2 P2
• Calculated formula: C56 H41 B Cl3 Cu F4 N4 O2 P2
• Title of publication: Copper(i) ionic complexes based on imidazo[4,5-f][1,10]phenanthrolin diimine chelating ligands: crystal structures, and photo- and electroluminescence properties
• Authors of publication: Rozhkov, Anton V.; Eliseeva, Svetlana N.; Baykov, Sergey V.; Zelenkov, Lev E.; Goriachiy, Dmitry O.; Taydakov, Ilya V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 110 - 120
• a: 17.4377 ± 0.0005 Å
• b: 15.4971 ± 0.0003 Å
• c: 20.199 ± 0.0005 Å
• α: 90°
• β: 94.279 ± 0.002°
• γ: 90°
• Cell volume: 5443.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No