Information card for entry 4334264

Structure parameters

• Chemical name: [Tb(CyMe4-BTBP)2(H2O)](NO3)3.4EtOH
• Formula: C72 H100 N19 O14 Tb
• Calculated formula: C72 H96 N19 O14 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: 30.5621 ± 0.0007 Å
• b: 14.8217 ± 0.0004 Å
• c: 23.9083 ± 0.0006 Å
• α: 90°
• β: 129.428 ± 0.001°
• γ: 90°
• Cell volume: 8365.4 ± 0.4 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0944
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No