Information card for entry 7244386

Structure parameters

• Formula: C39.5 H36 Cl Co3 N2 O23.5 Tb
• Calculated formula: C39.5 H33 Cl Co3 N2 O22 Tb
• 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: 14.0045 ± 0.0005 Å
• b: 15.7554 ± 0.0005 Å
• c: 41.1854 ± 0.0016 Å
• α: 90°
• β: 96.063 ± 0.002°
• γ: 90°
• Cell volume: 9036.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No