Information card for entry 4320125

Structure parameters

• Formula: C72 H78 N6 Nd O17.5 P4
• Calculated formula: C72 H73 N6 Nd O17.5 P4
• 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: 15.133 ± 0.004 Å
• b: 15.93 ± 0.003 Å
• c: 19.947 ± 0.005 Å
• α: 68.35 ± 0.02°
• β: 68.54 ± 0.01°
• γ: 81.42 ± 0.02°
• Cell volume: 4159 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1082
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections: 0.1823
• Weighted residual factors for significantly intense reflections: 0.1654
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No