Information card for entry 2215553

Structure parameters

• Chemical name: Poly[bis[diaqua(isonicotinato-κ2O,O')dysprosium(III)] [bis(isonicotinato-κO)copper(II)]tetra(μ3-isonicotinato-κ3O:O':N)]
• Formula: C48 H40 Cu Dy2 N8 O20
• Calculated formula: C48 H40 Cu Dy2 N8 O20
• SMILES: [Dy]1234([O]=C(O[Dy]5([O]=C(O2)c2ccncc2)([O]=C(O3)c2cc[n]([Cu](OC(=O)c3ccncc3)OC(=O)c3ccncc3)cc2)([O]=C([O]5)c2ccncc2)(OC(=[O]4)c2ccncc2)([OH2])[OH2])c2cc[n]([Cu](OC(=O)c3ccncc3)(OC(=O)c3ccncc3)[n]3ccc(cc3)C3=[O][Dy]456([O]=C(O4)c4ccncc4)([O]=C(O[Dy]4(O3)([O]=C(O5)c3ccncc3)(OC(=[O]4)c3ccncc3)([O]=C(O6)c3ccncc3)([OH2])[OH2])c3ccncc3)([OH2])[OH2])cc2)(OC(=[O]1)c1ccncc1)([OH2])[OH2]
• Title of publication: Poly[bis[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')dysprosium(III)][bis(isonicotinato-κ<i>O</i>)copper(II)]tetra(μ~3~-isonicotinato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>)]
• Authors of publication: Dai-Zhi Kuang; Yong-Lan Feng; Yun-Lin Peng; Yi-Fang Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2526 - m2527
• a: 9.456 ± 0.001 Å
• b: 14.966 ± 0.003 Å
• c: 18.166 ± 0.004 Å
• α: 90°
• β: 93.74 ± 0.01°
• γ: 90°
• Cell volume: 2565.3 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes