Information card for entry 1563926

Structure parameters

• Formula: C54 H79.5 N5.5 O3 Tb
• Calculated formula: C54 H79.5 N5.5 O3 Tb
• Title of publication: Structural and spectroscopic investigations of redox active seven coordinate luminescent lanthanide complexes
• Authors of publication: Molloy, Jennifer K.; Fedele, Lionel; Jarjayes, Olivier; Philouze, Christian; Imbert, Daniel; Thomas, Fabrice
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 609 - 617
• a: 27.646 ± 0.003 Å
• b: 27.646 ± 0.003 Å
• c: 27.646 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21130 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.394
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No