Information card for entry 7062066

Structure parameters

• Formula: C56 H70 O16 P2 Tb2
• Calculated formula: C56 H70 O16 P2 Tb2
• Title of publication: Multifunctional LnIII complexes with SMM, luminescence and MCE properties constructed using selected phosphine oxide and diketonate
• Authors of publication: Yan, Han; Che, Zi-Wei; Sun, Wen-Bin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 140 - 146
• a: 11.0522 ± 0.0005 Å
• b: 12.2463 ± 0.0004 Å
• c: 12.2833 ± 0.0005 Å
• α: 116.775 ± 0.004°
• β: 94.703 ± 0.003°
• γ: 90.557 ± 0.003°
• Cell volume: 1477.24 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0458
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No