Information card for entry 2220314

Structure parameters

• Chemical name: catena-poly[{di-μ-isonicotinato-bis[diaquaisonicotinatoeuropium(III)]}-μ- isonicotinato-[diisonicotinatocopper(II)]-μ-isonicotinato]
• Formula: C48 H40 Cu Eu2 N8 O20
• Calculated formula: C48 H40 Cu Eu2 N8 O20
• SMILES: [Eu]1234([O]=C(O1)c1ccncc1)([O]=C(O[Eu]1([O]=C(O2)c2cc[n]([Cu](OC(=O)c5ccncc5)(OC(=O)c5ccncc5)[n]5ccc(cc5)C5=[O][Eu]678(OC(=[O]6)c6ccncc6)(OC(=[O][Eu]6(O5)([O]=C(O6)c5ccncc5)([O]=C(O7)c5ccncc5)(OC(=[O]8)c5ccncc5)([OH2])[OH2])c5ccncc5)([OH2])[OH2])cc2)(OC(=[O]1)c1ccncc1)([O]=C(O3)c1ccncc1)(OC(=[O]4)c1cc[n]([Cu](OC(=O)c2ccncc2)OC(=O)c2ccncc2)cc1)([OH2])[OH2])c1ccncc1)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[{di-μ-isonicotinato-bis[diaquaisonicotinatoeuropium(III)]}-μ-isonicotinato-[diisonicotinatocopper(II)]-μ-isonicotinato]
• Authors of publication: Huang, Miao-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1595 - m1596
• a: 9.5218 ± 0.0009 Å
• b: 15.0371 ± 0.0013 Å
• c: 18.285 ± 0.0016 Å
• α: 90°
• β: 93.822 ± 0.001°
• γ: 90°
• Cell volume: 2612.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0272
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes