Information card for entry 7122061

Structure parameters

• Formula: C36 H54 N4 O6
• Calculated formula: C36 H54 N4 O6
• Title of publication: A molecular basis to rare earth separations for recycling: tuning the TriNOx ligand properties for improved performance.
• Authors of publication: Cole, Bren E.; Falcones, Ingemar B.; Cheisson, Thibault; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 73
• Pages of publication: 10276 - 10279
• a: 15.714 ± 0.0007 Å
• b: 15.714 ± 0.0007 Å
• c: 9.1939 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1966.09 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No