Information card for entry 4315614

Structure parameters

• Formula: C47 H43 N6 O5 Sc
• Calculated formula: C47 H43 N6 O5 Sc
• Title of publication: Synthesis, Structures, and Electroluminescent Properties of Scandium N,O-Chelated Complexes toward Near-White Organic Light-Emitting Diodes
• Authors of publication: Marina A. Katkova; Tatyana V. Balashova; Vasilii A. Ilichev; Alexey N. Konev; Nikolai A. Isachenkov; Georgy K. Fukin; Sergey Yu. Ketkov; Mikhail N. Bochkarev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5094 - 5100
• a: 9.3688 ± 0.0005 Å
• b: 10.6914 ± 0.0006 Å
• c: 20.7119 ± 0.0011 Å
• α: 90.175 ± 0.001°
• β: 93.06 ± 0.001°
• γ: 109.645 ± 0.001°
• Cell volume: 1950.59 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No