Information card for entry 7244384

Structure parameters

• Formula: C41 H40 Co3 Dy N3 O27
• Calculated formula: C41 H40 Co3 Dy N3 O27
• SMILES: [Dy]123456([O]7[Co]89([O]5c5c(C=[O]8)c8ccccc8c8c5[O]4[Co]4([O]1c1c(c5c(c%10C=[O][Co]%11([O]2c2c7c(C=[O]9)c7c(c2C=[O]%11)cccc7)([O]3c1%10)([OH]C)[OH]C)cccc5)C=[O]4)([OH]C)([OH2])[O]=C8)(ON(=O)=O)[OH]C)([O]=N(=O)O6)[OH]C.O=N(=O)[O-]
• Title of publication: Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes
• Authors of publication: Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4828 - 4835
• a: 10.2212 ± 0.0008 Å
• b: 11.0914 ± 0.001 Å
• c: 22.1617 ± 0.0019 Å
• α: 91.217 ± 0.007°
• β: 91.74 ± 0.006°
• γ: 116.345 ± 0.006°
• Cell volume: 2248.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1414
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No