Information card for entry 1568693

Structure parameters

• Chemical name: C30H30Cl6GdTi3
• Formula: C30 H30 Cl6 Gd Ti3
• Calculated formula: C30 H30 Cl6 Gd 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: 12.7944 ± 0.0003 Å
• b: 21.4986 ± 0.0005 Å
• c: 12.9783 ± 0.0003 Å
• α: 90°
• β: 114.454 ± 0.001°
• γ: 90°
• Cell volume: 3249.6 ± 0.13 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: 0.0234
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No