Information card for entry 7057513

Structure parameters

• Formula: C69.5 H67 Cu F6 N3 O3 P3
• Calculated formula: C69.5 H67 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: 11.2137 ± 0.0005 Å
• b: 19.5244 ± 0.0009 Å
• c: 28.7399 ± 0.0013 Å
• α: 98.235 ± 0.001°
• β: 99.217 ± 0.001°
• γ: 93.836 ± 0.001°
• Cell volume: 6121 ± 0.5 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No