Information card for entry 1568696

Structure parameters

• Chemical name: C30H30Cl6TbTi3
• Formula: C30 H30 Cl6 Tb Ti3
• Calculated formula: C30 H30 Cl6 Tb Ti3
• Title of publication: Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl₆(TiCp₂)₃].
• Authors of publication: Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4302 - 4307
• a: 12.7966 ± 0.0008 Å
• b: 21.465 ± 0.0013 Å
• c: 12.975 ± 0.0007 Å
• α: 90°
• β: 114.419 ± 0.002°
• γ: 90°
• Cell volume: 3245.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0384
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No