Information card for entry 7235286

Structure parameters

• Formula: C58 H58 Li2 N2 O8 P2
• Calculated formula: C58 H58 Li2 N2 O8 P2
• Title of publication: Lithium, zinc and scandium complexes of phosphorylated salicylaldimines: synthesis, structure, thermochemical and photophysical properties, and application in OLEDs
• Authors of publication: Aleksanyan, D. V.; Kozlov, V. A.; Petrov, B. I.; Balashova, T. V.; Pushkarev, A. P.; Dmitrienko, A. O.; Fukin, G. K.; Cherkasov, A. V.; Bochkarev, M. N.; Lazarev, N. M.; Bessonova, Y. A.; Abakumov, G. A.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 46
• Pages of publication: 24484
• a: 9.6448 ± 0.0004 Å
• b: 12.0294 ± 0.0005 Å
• c: 12.29 ± 0.0005 Å
• α: 101.413 ± 0.001°
• β: 102.447 ± 0.001°
• γ: 103.514 ± 0.001°
• Cell volume: 1306.74 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No