Information card for entry 7006495

Structure parameters

• Formula: C24 H28 Lu N11 O11
• Calculated formula: C24 H26 Lu N11 O11
• SMILES: [Lu]12345([n]6nc(c(nc6c6[n]1c(ccc6)c1[n]3c(c3[n]2nc(c(n3)CC)CC)ccc1)CC)CC)(ON(=[O]4)=O)([O]=N(=O)O5)[OH2].O=N(=O)[O-].O
• 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: 7.736 ± 0.009 Å
• b: 22.66 ± 0.024 Å
• c: 18.083 ± 0.019 Å
• α: 90°
• β: 92.137 ± 0.01°
• γ: 90°
• Cell volume: 3168 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.1213
• Weighted residual factors for significantly intense reflections: 0.1179
• Goodness-of-fit parameter for all reflections: 1.274
• Goodness-of-fit parameter for significantly intense reflections: 1.337
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No