Information card for entry 7057514

Structure parameters

• Formula: C59 H55 Cu F6 N3 O3 P3
• Calculated formula: C59 H55 Cu F6 N3 O3 P3
• Title of publication: Heteroleptic Cu(i) complexes bearing methoxycarbonyl-imidoylindazole and POP ligands ‒ an experimental and theoretical study of their photophysical properties
• Authors of publication: González, Iván A.; Henríquez, Marco A.; Cortés-Arriagada, Diego; Natali, Mirco; Daniliuc, Constantin G.; Dreyse, Paulina; Maze, Jerónimo; Rojas, René S.; Salas, Cristian O.; Cabrera, Alan R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 12576
• a: 12.0944 ± 0.0004 Å
• b: 15.3062 ± 0.0005 Å
• c: 15.764 ± 0.0005 Å
• α: 95.334 ± 0.001°
• β: 91.665 ± 0.001°
• γ: 103.357 ± 0.002°
• Cell volume: 2823.14 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No