Information card for entry 2013601

Structure parameters

• Chemical name: tetrakis(μ-crotonato-1:2κ^2^O:O')bis[bis(aqua-κO)(crotonato- κ^2^O,O')(yttrium(III)] 2,2'-bipyridylamine tetrasolvate
• Formula: C64 H74 N12 O16 Y2
• Calculated formula: C64 H74 N12 O16 Y2
• SMILES: [Y]12345(OC(=[O]2)/C=C/C)([O]=C(/C=C/C)[O]4[Y]24([O]=C(/C=C/C)O3)(OC(=[O]2)/C=C/C)([O]=C(/C=C/C)[O]14)([OH2])([O]=C(/C=C/C)O5)[OH2])([OH2])[OH2].c1cccc(n1)Nc1ccccn1.c1cccc(n1)Nc1ccccn1.c1cccc(n1)Nc1ccccn1.c1cccc(n1)Nc1ccccn1
• Title of publication: Three yttrium crotonate complexes with diimines
• Authors of publication: Atria, Ana María; Muñoz, Juan Carlos; Soto, Andrés; Garland, María Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m416 - m420
• a: 38.108 ± 0.004 Å
• b: 8.851 ± 0.001 Å
• c: 25.539 ± 0.003 Å
• α: 90°
• β: 126.26 ± 0.01°
• γ: 90°
• Cell volume: 6945.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes