Information card for entry 2212394

Structure parameters

• Chemical name: Bis[μ-2-(2-oxidobenzoylhydrazono)propanoato]bis{aqua[2-(2- hydroxybenzoylhydrazono)propanoato]yttrium(III)} bis{pentaaqua[2-(2-oxidobenzoylhydrazono)propanoato(3-)]yttrium(III)} hexahydrate
• Formula: C60 H84 N12 O42 Y4
• Calculated formula: C60 H84 N12 O42 Y4
• SMILES: N1[N]2=C(C)C(=O)O[Y]2(OC=1c1c([O-])cccc1)([OH2])([OH2])([OH2])([OH2])[OH2].O1[Y]2345([O]=C(c6c(cccc6)O)N[N]2=C(C)C(=O)O5)([OH2])[N](=C(C)C1=O)NC(c1c(cccc1)O[Y]1256([N](=C(C)C(=O)O2)NC(c2c(cccc2)O3)=[O]1)([N](=C(C)C(=O)O6)NC(=[O]5)c1c(O)cccc1)[OH2])=[O]4.O.O.O.N1[N]2=C(C)C(=O)O[Y]2(OC=1c1c([O-])cccc1)([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O
• Title of publication: Bis[μ-2-(2-oxidobenzoylhydrazono)propanoato]bis{aqua[2-(2-hydroxybenzoylhydrazono)propanoato]yttrium(III)} bis{pentaaqua[2-(2-oxidobenzoylhydrazono)propanoato(3‒)]yttrium(III)} hexahydrate
• Authors of publication: Chen, Feng-Ying; He, Shui-Yang; Liu, Xiang-Rong; Wu, Wang-Ting; Liu, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m468 - m470
• a: 7.7484 ± 0.001 Å
• b: 14.746 ± 0.002 Å
• c: 17.98 ± 0.003 Å
• α: 102.128 ± 0.002°
• β: 97.981 ± 0.002°
• γ: 90.351 ± 0.002°
• Cell volume: 1987.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes