Information card for entry 7016086

Structure parameters

• Formula: C44 H54 N6 O12 P3 Y
• Calculated formula: C44 H54 N6 O12 P3 Y
• SMILES: [Y]12345([O]=[P@@](N(C(C)C)C(C)C)(c6c(P(=[O]1)(c1c([P@](=[O]2)(N(C(C)C)C(C)C)c2ccccc2)cccc1)c1ccccc1)cccc6)c1ccccc1)(ON(=O)=[O]3)(ON(=[O]4)=O)ON(=[O]5)=O.N#CC
• Title of publication: Synthesis and structure of tridentate bis(phosphinic amide)-phosphine oxide complexes of yttrium nitrate. Applications of (31)P,(89)Y NMR methods in structural elucidation in solution.
• Authors of publication: Popovici, Cristinel; Fernández, Ignacio; Oña-Burgos, Pascual; Roces, Laura; García-Granda, Santiago; Ortiz, Fernando López
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6691 - 6703
• a: 21.5641 ± 0.0007 Å
• b: 20.9926 ± 0.0008 Å
• c: 24.1037 ± 0.0008 Å
• α: 90°
• β: 119.372 ± 0.002°
• γ: 90°
• Cell volume: 9508.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No