Information card for entry 2227342

Structure parameters

• Chemical name: Tetraaquabis(μ~2~-4,4'-bipyridine)dodecakis(μ~2~-2-methylprop-2- enoato)octakis(2-methylprop-2-enoato)tetraytterbium(III)tetrazinc(II)
• Formula: C100 H124 N4 O44 Yb4 Zn4
• Calculated formula: C100 H124 N4 O44 Yb4 Zn4
• SMILES: C1(=[O][Yb]234([O]=C(C(=C)C)O3)([OH2])(O1)[O]=C(C(=C)C)O[Zn]([O]=C(O2)C(=C)C)(OC(=[O]4)C(=C)C)[n]1ccc(cc1)c1cc[n](cc1)[Zn]12OC(C(C)=C)=[O][Yb]34([O]=C(O3)C(=C)C)([O]=C(C(=C)C)O1)([O]=C(C(C)=C)O2)(OC(C(C)=C)=[O][Yb]123([O]=C(C(=C)C)O3)([O]=C(C(C)=C)O[Zn]([n]3ccc(c5cc[n](cc5)[Zn]56[O]=C(C(=C)C)O[Yb]78([O]=C(C(=C)C)O8)([O]=C(C(=C)C)O7)([OH2])([O]=C(O5)C(=C)C)[O]=C(C(=C)C)O6)cc3)([O]=C(C(=C)C)O1)[O]=C(C(C)=C)O2)([O]=C(C(C)=C)O4)[OH2])[OH2])C(=C)C
• Title of publication: Tetraaquabis(μ~2~-4,4'-bipyridine)dodecakis(μ~2~-2-methylprop-2-enoato)octakis(2-methylprop-2-enoato)tetraytterbium(III)tetrazinc(II)
• Authors of publication: Wu, Bin; Zhao, Chengxin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1204
• a: 13.398 ± 0.003 Å
• b: 14.88 ± 0.003 Å
• c: 16.408 ± 0.003 Å
• α: 64.06 ± 0.03°
• β: 89.55 ± 0.03°
• γ: 85.54 ± 0.03°
• Cell volume: 2931.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0426
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes