Information card for entry 7702536

Structure parameters

• Chemical name: Aquacadmium(II)-(-(3,4-toluenediamine-N,N,N',N'-tetraacetato)-cadmium(II)aqua
• Formula: C15 H18 Cd2 N2 O10
• Calculated formula: C15 H14 Cd2 N2 O10
• Title of publication: Crystal structure of the 3-D complex [(H2O)Cd(μ-3,4-TDTA)Cd(H2O)]. Potentiometric and 113Cd NMR studies in aqueous solution (3,4-TDTA = 3,4-toluenediamine-N,N,N ′,N ′-tetraacetate)
• Authors of publication: Sanchiz, Joaquín; Esparza, Pedro; Domínguez, Sixto; Mederos, Alfredo; Saysell, David; Sánchez, Agustin; Ruano, Rafael; Arrieta, Juan Manuel
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 1559
• a: 8.597 ± 0.002 Å
• b: 24.346 ± 0.002 Å
• c: 9.197 ± 0.002 Å
• α: 90°
• β: 106.1 ± 0.03°
• γ: 90°
• Cell volume: 1849.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No