Information card for entry 4309363

Structure parameters

• Common name: [Eu(HDAPBHPSC)2]Cl*1.5iso-PrOH*H2O
• Chemical name: Bis(2,6-diacetylpyridine benzoylhydrazonato-4-phenylsemicarbazone)- europium(III)-chloride-iso-propanol-water-solvate
• Formula: C50.5 H56 Cl Eu N12 O6.5
• Calculated formula: C50.5 H56 Cl Eu N12 O6.5
• 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: 11.446 ± 0.003 Å
• b: 31.751 ± 0.007 Å
• c: 15.632 ± 0.004 Å
• α: 90°
• β: 102.778 ± 0.006°
• γ: 90°
• Cell volume: 5540 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No