Information card for entry 7006484

Structure parameters

• Formula: C24 H26 N8
• Calculated formula: C24 H26 N8
• SMILES: c1(c2nc(c3nc(c4nnc(c(n4)CC)CC)ccc3)ccc2)nnc(c(n1)CC)CC
• 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: 7.881 ± 0.009 Å
• b: 8.831 ± 0.009 Å
• c: 8.889 ± 0.009 Å
• α: 112.13 ± 0.01°
• β: 96.06 ± 0.01°
• γ: 90.19 ± 0.01°
• Cell volume: 569.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1721
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections: 0.1921
• Weighted residual factors for significantly intense reflections: 0.1669
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.342
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No