Information card for entry 7031469

Structure parameters

• Formula: C17 H17 La N8 O11
• Calculated formula: C17 H17 La N8 O11
• SMILES: [La]12345([OH2])([OH2])(ON(=O)=[O]1)(ON(=O)=[O]2)(ON(=O)=[O]3)[n]1nc(c(nc1c1[n]4c2c(cc1)ccc1ccc[n]5c21)C)C
• Title of publication: Complexation of trivalent americium and lanthanides with terdentate 'N' donor ligands: the role of rigidity in the ligand structure.
• Authors of publication: Bhattacharyya, Arunasis; Gadly, Trilochan; Pathak, Priyanath; Ghosh, Sunil K.; Mohapatra, Manoj; Ghanty, Tapan K.; Mohapatra, Prasanta K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12422 - 12429
• a: 9.5804 ± 0.0004 Å
• b: 9.7438 ± 0.0004 Å
• c: 13.7155 ± 0.0005 Å
• α: 97.264 ± 0.003°
• β: 92.617 ± 0.003°
• γ: 115.428 ± 0.004°
• Cell volume: 1139.86 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No