Information card for entry 4320124

Structure parameters

• Formula: C18 H33 N4 O13 P2 Yb
• Calculated formula: C18 H33 N4 O13 P2 Yb
• SMILES: [Yb]12345(ON(=O)=[O]3)(ON(=O)=[O]5)(ON(=[O]4)=O)[O]=n3c(cccc3CP(=[O]2)(CC)CC)CP(=[O]1)(CC)CC.O=C(C)C
• Title of publication: Synthesis and Coordination Properties of New Bis(phosphinomethyl)pyridine N,P,P'-Trioxides
• Authors of publication: Xin-Min Gan; Eileen N. Duesler; Robert T. Paine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4420 - 4427
• a: 11.1 ± 0.001 Å
• b: 19.096 ± 0.002 Å
• c: 13.722 ± 0.002 Å
• α: 90°
• β: 95.37 ± 0.01°
• γ: 90°
• Cell volume: 2895.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0432
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.0611
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No