Information card for entry 7016085

Structure parameters

• Formula: C86 H105 N8 O15 P6 Y
• Calculated formula: C86 H105 N8 O15 P6 Y
• SMILES: [Y]12345([O]=P(N(C(C)C)C(C)C)(c6c(P(=[O]1)(c1ccccc1)c1c(P(=[O]2)(N(C(C)C)C(C)C)c2ccccc2)cccc1)cccc6)c1ccccc1)([O]=P(N(C(C)C)C(C)C)(c1c(P(=[O]3)(c2ccccc2)c2c(P(=[O]4)(N(C(C)C)C(C)C)c3ccccc3)cccc2)cccc1)c1ccccc1)[O]=N(=O)O5.N#CC.N(=O)(=O)[O-].N(=O)(=O)[O-]
• 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: 14.831 ± 0.002 Å
• b: 15.879 ± 0.002 Å
• c: 23.473 ± 0.003 Å
• α: 74.596 ± 0.002°
• β: 73.845 ± 0.003°
• γ: 62.892 ± 0.003°
• Cell volume: 4663.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No