Information card for entry 7235287

Structure parameters

• Formula: C72 H66 N4 O6 P2 Zn
• Calculated formula: C72 H66 N4 O6 P2 Zn
• 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: 29.3832 ± 0.0018 Å
• b: 10.1971 ± 0.0006 Å
• c: 24.3422 ± 0.0015 Å
• α: 90°
• β: 125.879 ± 0.001°
• γ: 90°
• Cell volume: 5909.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No