Information card for entry 4337970

Structure parameters

• Formula: C60 H63 N21 O29 Tb4
• Calculated formula: C60 H63 N21 O29 Tb4
• SMILES: [Tb]1234567([O]8[Tb]9%10%11%12%13([O](c%14cccc(C=[N]7Nc7[n]6cccc7)c8%14)C)([O]([Tb]678%14([O]%15[Tb]%16%17%18([O](c%19cccc(C=[N]%14Nc%14[n]8cccc%14)c%15%19)C)([O]1c1c(C=[N]%18Nc8[n]%17cccc8)cccc1OC)([O]36)ON(=[O]%16)=O)([O]29)([O]4%10)ON(=[O]7)=O)c1c(C=[N]%13Nc2[n]%12cccc2)cccc1OC)ON(=O)=[O]%11)ON(=[O]5)=O.O=N(=O)[O-].O.O.N#CC.N#CC.N#CC.CC#N.O
• Title of publication: Tetranuclear Lanthanide(III) Complexes in a Seesaw Geometry: Synthesis, Structure, and Magnetism.
• Authors of publication: Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3385
• a: 13.966 ± 0.005 Å
• b: 15.284 ± 0.005 Å
• c: 19.802 ± 0.005 Å
• α: 95.728 ± 0.005°
• β: 95.302 ± 0.005°
• γ: 111.289 ± 0.005°
• Cell volume: 3881 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No