Information card for entry 7030751

Structure parameters

• Formula: C90 H132 N6 O36 Tb7
• Calculated formula: C90 H120 N6 O36 Tb7
• SMILES: [C@H]12CCCC[C@H]1[N]1=Cc3ccccc3O[Tb]3451(O2)([OH]1[Tb]26789%10%11[O]%124C(=[O]3)O[Tb]34%13%12([OH]8[Tb]8%12%14%15([N]([C@@H]%16[C@@H](CCCC%16)O%14)=Cc%14ccccc%14O8)([O]=C8O[Tb]%14%16([N]([C@H]%17[C@H](CCCC%17)O%14)=Cc%14ccccc%14O%16)([OH]2[Tb]2%14%161([N]([C@H]1[C@H](CCCC1)O2)=Cc1ccccc1O%16)([O]=C1[O]9%14[Tb]29([N]([C@@H]%14[C@@H](CCCC%14)O2)=Cc2ccccc2O9)([OH]%11%13)([OH]6%15)(O1)[OH]C)[OH]C)([OH]57)([O]8%10%12)[OH]C)[OH]C)([N]([C@@H]1[C@@H](CCCC1)O3)=Cc1ccccc1O4)[OH]C)[OH]C.OC.OC.OC
• Title of publication: A new family of Ln7 clusters with an ideal D3h metal-centered trigonal prismatic geometry, and SMM and photoluminescence behaviors.
• Authors of publication: Mazarakioti, Eleni C.; Poole, Katye M.; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11456 - 11460
• a: 15.7469 ± 0.0009 Å
• b: 15.7469 ± 0.0009 Å
• c: 27.835 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5977.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No