Information card for entry 4309361

Structure parameters

• Common name: [Ce(HDAPBHPSC)2]2SO4*7EtOH
• Chemical name: Bis(2,6-diacetylpyridin-benzoylhydrazonato-4-phenylsemicarbazone)- cerium(III)-sulfate ethanol solvate
• Formula: C110 H138 Ce2 N24 O21 S
• Calculated formula: C110 H138 Ce2 N24 O21 S
• 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: 23.169 ± 0.005 Å
• b: 20.064 ± 0.005 Å
• c: 25.288 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.067 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 11739 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No