Information card for entry 7107039

Structure parameters

• Formula: C42 H42 N6 Nd O6 P3
• Calculated formula: C42 H42 N6 Nd O6 P3
• Title of publication: Structure, resolution and chirooptical analysis of stable lanthanide complexes of a pyridylmethylphosphinate triazacyclonane ligand
• Authors of publication: James W. Walton; Lorenzo Di Bari; David Parker; Gennaro Pescitelli; Horst Puschmann; Dmitry S. Yufit
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12289
• a: 15.1667 ± 0.0005 Å
• b: 22.6624 ± 0.0006 Å
• c: 15.9874 ± 0.0006 Å
• α: 90°
• β: 112.584 ± 0.004°
• γ: 90°
• Cell volume: 5073.7 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: Mo
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No