Information card for entry 7704957

Structure parameters

• Formula: C89 H88 N4 O13 Tb2
• Calculated formula: C89 H88 N4 O13 Tb2
• SMILES: [Tb]12345([N]6CC[O]1c1c7Cc8cccc(Cc9cccc(Cc%10cccc(Cc1ccc7)c%10O4)c9[O]3CCN=Cc1cc(cc3C=[N]4[Tb]79%10([O](c%11c%12Cc%13cccc(Cc%14cccc(Cc%15cccc(Cc%11ccc%12)c%15O%10)c%14[O]9CCN=Cc9cc(cc(C=6)c9O5)C(C)(C)C)c%13O7)CC4)(Oc13)[OH]C)C(C)(C)C)c8O2)[OH2].O
• Title of publication: Mixed-ligand lanthanide complexes supported by ditopic bis(imino-methyl)-phenol/calix[4]arene macrocycles: synthesis, structures, and luminescence properties of [Ln₂(L²)(MeOH)₂] (Ln = La, Eu, Tb, Yb).
• Authors of publication: Ullmann, Steve; Hahn, Peter; Mini, Parvathy; Tuck, Kellie L.; Kahnt, Axel; Abel, Bernd; Gutierrez Suburu, Matias E.; Strassert, Cristian A.; Kersting, Berthold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11179 - 11191
• a: 14.5534 ± 0.0003 Å
• b: 33.1629 ± 0.0006 Å
• c: 20.453 ± 0.0004 Å
• α: 90°
• β: 108.277 ± 0.002°
• γ: 90°
• Cell volume: 9373.3 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No