Information card for entry 7006485

Structure parameters

• Formula: C32.5 H40 N8 O0.5
• Calculated formula: C32.5 H40 N8 O0.5
• Title of publication: Complexes formed between the quadridentate, heterocyclic molecules 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridine (BTBP) and lanthanides(III): implications for the partitioning of actinides(III) and lanthanides(III).
• Authors of publication: Foreman, Mark R. S.; Hudson, Michael J.; Drew, Michael G. B.; Hill, Clément; Madic, Charles
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 13
• Pages of publication: 1645 - 1653
• a: 12.156 ± 0.014 Å
• b: 15.004 ± 0.017 Å
• c: 19.42 ± 0.022 Å
• α: 90°
• β: 90.133 ± 0.01°
• γ: 90°
• Cell volume: 3542 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1643
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections: 0.3957
• Weighted residual factors for significantly intense reflections: 0.3659
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No