Information card for entry 7046781

Structure parameters

• Formula: C42 H61 Er N4 O8
• Calculated formula: C42 H60.9996 Er N4 O8
• Title of publication: Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.
• Authors of publication: Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10742 - 10751
• a: 15.718 ± 0.002 Å
• b: 15.718 ± 0.002 Å
• c: 10.432 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2232 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No