Information card for entry 2007335

Structure parameters

• Common name: tetrasodium triethylenetetraminehexaacetic acid dilead nitrate decahydrate
• Chemical name: tetrasodium [μ~2~-[3,6,9,12-tetrakis(carboxymethyl)-3,6,9,12-tetraazatetradecanedioato-] ]-dilead dinitrate decahydrate
• Formula: C18 H44 N6 Na4 O28 Pb2
• Calculated formula: C18 H44 N6 Na4 O28 Pb2
• SMILES: C1(=O)CN(CC[N]23[Pb](O1)(OC(=O)C2)OC(=O)C3)CCN1CC(=O)O[Pb]23[N](CC(=O)O2)(CC(=O)O3)CC1.N(=O)(=O)[O-].[Na+].[Na+].O.O.O.O.O.N(=O)(=O)[O-].[Na+].[Na+].O.O.O.O.O
• Title of publication: Triethylenetetraminehexaacetic Acid Complex of Lead
• Authors of publication: Thompson, Julia A.; Scott, Brian L.; Sauer, Nancy N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 734 - 736
• a: 10.2 ± 0.001 Å
• b: 10.243 ± 0.001 Å
• c: 11.23 ± 0.001 Å
• α: 63.7 ± 0.01°
• β: 87.54 ± 0.01°
• γ: 69.45 ± 0.01°
• Cell volume: 976 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.0752
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No