Information card for entry 7112807

Structure parameters

• Formula: C26 H68 Cr Cu2 Gd N8 O32
• Calculated formula: C26 H36 Cr Cu2 Gd N8 O32
• SMILES: C1CC[NH]2CC[NH]3CCCN4[Cu]23N1C1C4=[O][Gd]23([O]=1)([O]=C1O[Cr]45(OC1=[O]3)(OC(=O)C(=O)O4)OC(=O)C(=O)O5)([OH2])([O]=C1C(N3[Cu]45[NH](CC[NH]4CCCN15)CCC3)=[O]2)[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Multi-component synthesis of trimetallic tetranuclear clusters [Cu(L)(H(2)O)](2)Ln(H(2)O)(2)Cr(C(2)O(4))(3).12H(2)O (H(2)L = 1,4,8,11-tetraazacyclotradecane-2,3-dione, Ln(3+) = Gd, Tb and Dy).
• Authors of publication: Kou, Hui-Zhong; Hu, Kong-Qiu; Zhao, Hao-Yan; Tang, Junkui; Cui, Ai-Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6533 - 6535
• a: 18.7457 ± 0.0007 Å
• b: 16.3391 ± 0.0007 Å
• c: 16.9184 ± 0.0006 Å
• α: 90°
• β: 100.381 ± 0.001°
• γ: 90°
• Cell volume: 5097.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No