Information card for entry 1517045

Structure parameters

• Chemical name: Hydroxonium Tetrakis(3-methyl-1-phenyl-4-formylpyrazole-5-onato)samarium(III)ate
• Formula: C44 H41 N8 O10 Sm
• Calculated formula: C44 H36 N8 O10 Sm
• Title of publication: Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion
• Authors of publication: Victor F. Shul-gin; Oleg V. Konnik; Susana V. Abkhairova; Alexey N. Gusev; Svetlana B. Meshkova; Anna V. Kiriyak; Eduard B. Rusanov; Miki Hasegawa; Wolfgang Linert
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 33 - 38
• a: 16.2701 ± 0.0004 Å
• b: 16.2701 ± 0.0004 Å
• c: 16.1315 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4270.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No