Information card for entry 7016084

Structure parameters

• Formula: C42 H51 N2 O3 P3
• Calculated formula: C42 H51 N2 O3 P3
• SMILES: P(=O)(N(C(C)C)C(C)C)(c1c(P(=O)(c2c(P(=O)(N(C(C)C)C(C)C)c3ccccc3)cccc2)c2ccccc2)cccc1)c1ccccc1
• 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: 13.567 ± 0.002 Å
• b: 19.623 ± 0.003 Å
• c: 14.296 ± 0.002 Å
• α: 90°
• β: 90.334 ± 0.004°
• γ: 90°
• Cell volume: 3805.9 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0817
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No