Information card for entry 7017809

Structure parameters

• Common name: Potassium ethylenediaminietetraacetato lanthanum malate
• Formula: C28 H60 K6 La2 N4 O40
• Calculated formula: C28 H60 K6 La2 N4 O40
• SMILES: C12C(=O)O[La]345678([N](CC(O4)=O)(CC(=O)O5)CC[N]3(CC(=O)O8)CC(=O)O6)([OH]2)[O]=C(CC2C(=O)O[La]345689([N](CC(=O)O5)(CC(=O)O6)CC[N]3(CC(=O)O8)CC(=O)O9)([OH]2)[O]=C(C1)O4)O7.[K+].[K+].[K+].O.O.O.O.O.O.O.[K+].[K+].[K+].O.O.O.O.O.O.O
• Title of publication: Isolations and characterization of highly water-soluble dimeric lanthanide citrate and malate with ethylenediaminetetraacetate.
• Authors of publication: Chen, Mao-Long; Gao, Song; Zhou, Zhao-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1202 - 1209
• a: 9.8421 ± 0.0003 Å
• b: 11.2798 ± 0.0005 Å
• c: 13.7733 ± 0.0005 Å
• α: 72.37 ± 0.004°
• β: 72.257 ± 0.003°
• γ: 88.654 ± 0.003°
• Cell volume: 1383.94 ± 0.1 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No