Information card for entry 4320127

Structure parameters

• Formula: C33 H31 N4 Nd O12 P2
• Calculated formula: C33 H31 N4 Nd O12 P2
• SMILES: [Nd]12345([O]=n6c(cccc6CP(=[O]2)(c2ccccc2)Cc2ccccc2)CP(=[O]1)(c1ccccc1)Cc1ccccc1)(ON(=[O]3)=O)(ON(=[O]4)=O)[O]=N(=O)O5
• 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: 24.766 ± 0.007 Å
• b: 13.696 ± 0.003 Å
• c: 10.532 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3572.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0625
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No