Information card for entry 7218752

Structure parameters

• Formula: C30 H40 La N11 O29
• Calculated formula: C30 H40 La N11 O29
• SMILES: C1C[N]23CC[OH][La]4563([OH]1)([OH]CC2)([OH2])([N](CC[OH]4)(CC[OH]5)CC[OH]6)[OH2].c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.N(=O)(=O)c1cc(N(=O)=O)cc(c1[O-])N(=O)=O.c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate
• Authors of publication: Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 103
• Pages of publication: 59248
• a: 11.481 ± 0.003 Å
• b: 27.028 ± 0.008 Å
• c: 14.742 ± 0.004 Å
• α: 90°
• β: 111.433 ± 0.013°
• γ: 90°
• Cell volume: 4258 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No