Information card for entry 7059140

Structure parameters

• Formula: C57 H46 B Cu F4 N4 O3 P2 S
• Calculated formula: C57 H46 B Cu F4 N4 O3 P2 S
• 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: 17.6314 ± 0.0001 Å
• b: 16.2484 ± 0.0001 Å
• c: 17.9278 ± 0.0002 Å
• α: 90°
• β: 90.926 ± 0.001°
• γ: 90°
• Cell volume: 5135.32 ± 0.07 ų
• Cell temperature: 130 ± 0.2 K
• Ambient diffraction temperature: 130 ± 0.2 K
• Number of distinct elements: 9
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No