Information card for entry 4334261

Structure parameters

• Chemical name: [Pr(CyMe4-BTBP)2(NO3)]2[Pr(NO3)6](NO3).6CH3CN
• Formula: C140 H166 N47 O27 Pr3
• Calculated formula: C140 H166 N47 O27 Pr3
• Title of publication: Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants
• Authors of publication: Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3429 - 3444
• a: 16.604 ± 0.002 Å
• b: 28.1161 ± 0.0019 Å
• c: 17.7385 ± 0.0014 Å
• α: 90°
• β: 106.609 ± 0.01°
• γ: 90°
• Cell volume: 7935.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1618
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No