Information card for entry 7059141

Structure parameters

• Formula: C55 H39 B Br Cu F4 N4 O2 P2
• Calculated formula: C55 H39 B Br 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: 13.1619 ± 0.0003 Å
• b: 14.2651 ± 0.0002 Å
• c: 14.994 ± 0.0003 Å
• α: 100.11 ± 0.001°
• β: 103.415 ± 0.002°
• γ: 111.011 ± 0.002°
• Cell volume: 2450.37 ± 0.1 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 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: 0.0523
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No