Information card for entry 7017808

Structure parameters

• Common name: Potassium ethylenediaminietetraacetato lanthanum citrate
• Formula: C32 H66 K8 La2 N4 O46
• Calculated formula: C32 H66 K8 La2 N4 O46
• SMILES: C1(=O)O[La]2345678([N](CC(O3)=[O])(CC(=O)O4)CC[N]5(CC(=O)O2)CC(=O)O8)[OH]C1(CC1=[O][La]234589([N](CC(=O)O4)(CC(=O)O5)CC[N]2(CC(=O)O8)CC(=O)O9)([OH]C(C(=O)O3)(CC(=[O]6)O7)CC(=O)[O-])O1)CC(=O)[O-].[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.[K+].[K+].[K+].[K+].O.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: 11.234 ± 0.003 Å
• b: 11.305 ± 0.003 Å
• c: 14.592 ± 0.004 Å
• α: 84.066 ± 0.004°
• β: 72.72 ± 0.004°
• γ: 65.178 ± 0.004°
• Cell volume: 1605.6 ± 0.8 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No