Information card for entry 2243635

Structure parameters

• Chemical name: Triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanolterbium(III) trichloride methanol disolvate
• Formula: C26 H39 Cl3 N5 O8 Tb
• Calculated formula: C26 H39 Cl3 N5 O8 Tb
• SMILES: C1(c2ccccc2)N[N]2=C(C)c3cccc4C(C)=[N]5NC(c6ccccc6)=[O][Tb]25([n]34)([O]=1)([OH]C)([OH2])([OH2])[OH2].CO.CO.[Cl-].[Cl-].[Cl-]
• Title of publication: Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (<i>Ln</i>^III^ = Tb and Dy)
• Authors of publication: Kachi-Terajima, Chihiro; Kimura, Norihisa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• Pages of publication: 535 - 538
• a: 8.9703 ± 0.0007 Å
• b: 12.6433 ± 0.0009 Å
• c: 14.4233 ± 0.0011 Å
• α: 87.004 ± 0.001°
• β: 88.752 ± 0.001°
• γ: 81.98 ± 0.001°
• Cell volume: 1617.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes