Information card for entry 4334258

Structure parameters

• Chemical name: [Tb(CyMe4-BTPhen)2(H2O)](NO3)3.9H2O
• Formula: C68 H96 N19 O19 Tb
• Calculated formula: C68 H76 N19.001 O19.003 Tb
• 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: 31.3486 ± 0.0007 Å
• b: 38.0261 ± 0.0009 Å
• c: 14.8414 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17691.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes