Information card for entry 1564816

Structure parameters

• Formula: C84 H120 La N3 O6
• Calculated formula: C84 H120 La N3 O6
• SMILES: [La]123456(Oc7c(C(C)(C)C)cc(cc7N6c6cc(cc(c6O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)(Oc3c(cc(cc3N4c3cc(C(C)(C)C)cc(C(C)(C)C)c3O1)C(C)(C)C)C(C)(C)C)Oc1c(C(C)(C)C)cc(cc1N5c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Photovoltaic Properties of Zn, Al, La, Sm, and Yb Complexes with o-Iminobenzoquinone Ligands
• Authors of publication: Maleev, A. A.; Trofimova, O.Yu.; Pushkarev, A.P.; Somov, N.V.; Travkin, V.V.; Pakhomov, G.L.; Piskunov, A.V.; Bochkareva, M.N.
• Journal of publication: Nanotechnologies in Russia
• Year of publication: 2015
• Journal volume: 10
• Journal issue: 7-8
• Pages of publication: 613 - 620
• a: 13.53204 ± 0.00018 Å
• b: 28.1457 ± 0.0003 Å
• c: 23.0424 ± 0.0003 Å
• α: 90°
• β: 104.551 ± 0.0014°
• γ: 90°
• Cell volume: 8494.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No