Information card for entry 2217594

Structure parameters

• Chemical name: trinitratocopper(II)samarium(III) acetone solvate
• Formula: C22 H26 Cu N5 O14 Sm
• Calculated formula: C22 H26 Cu N5 O14 Sm
• SMILES: c12c3cccc1C=[N]1CCC[N]4=Cc5cccc6c5[O]5[Cu]14[O]2[Sm]1245([O]3C)([O]6C)(ON(=O)=[O]1)(ON(=O)=[O]2)ON(=O)=[O]4.CC(=O)C
• Title of publication: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}trinitratocopper(II)samarium(III) acetone solvate
• Authors of publication: Wang, Jing-Hua; Gao, Po; Yan, Peng-Fei; Li, Guang-Ming; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m344 - m344
• a: 9.384 ± 0.005 Å
• b: 12.111 ± 0.005 Å
• c: 13.529 ± 0.006 Å
• α: 73.071 ± 0.018°
• β: 86.984 ± 0.019°
• γ: 72.346 ± 0.018°
• Cell volume: 1400.6 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes