Information card for entry 4334255

Structure parameters

• Chemical name: [Pr(CyMe4-BTPhen)2(NO3)](NO3)2.10H20
• Formula: C68 H96 N19 O19 Pr
• Calculated formula: C68 H76 N19 O19 Pr
• 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: 31.654 ± 0.005 Å
• b: 26.271 ± 0.005 Å
• c: 19.501 ± 0.005 Å
• α: 90°
• β: 109.504 ± 0.005°
• γ: 90°
• Cell volume: 15286 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No