Information card for entry 7122063

Structure parameters

• Formula: C40 H59 N4 Nd O7
• Calculated formula: C40 H59 N4 Nd O7
• 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: 10.1532 ± 0.0007 Å
• b: 16.0011 ± 0.0012 Å
• c: 16.825 ± 0.0012 Å
• α: 73.266 ± 0.002°
• β: 89.599 ± 0.002°
• γ: 74.177 ± 0.002°
• Cell volume: 2510.9 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 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: 0.0479
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No