Information card for entry 4309362

Structure parameters

• Common name: [Sm(HDFPSCPTSC)2]Cl*H2O
• Chemical name: Bis(2,6-diformylpyridine-4-phenylsemicarbazone-4-phenylthiosemicarbazonato)- samarium(III) nitrate water solvate
• Formula: C42 H36 N15 O6 S2 Sm
• Calculated formula: C42 H36 N15 O6 S2 Sm
• Title of publication: Controlled Ligand Deprotonation in Lanthanide Chelates with Asymmetric Semicarbazone/Benzoylhydrazone or Semicarbazone/Thiosemicarbazone Coordination Spheres
• Authors of publication: Alexander Jagst; Agustin Sánchez; Ezequiel M. Vázquez-López; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5738 - 5744
• a: 49.76 ± 0.05 Å
• b: 49.76 ± 0.05 Å
• c: 13.85 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 29699 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No