Information card for entry 2217417

Structure parameters

• Chemical name: [μ-<i>N</i>,<i>N</i>'-Bis(3-methoxy-2-oxidobenzylidene)propane-1,3- diamine]trinitratocopper(II)terbium(III) acetone solvate
• Formula: C22 H26 Cu N5 O14 Tb
• Calculated formula: C22 H26 Cu N5 O14 Tb
• SMILES: c12c3cccc1C=[N]1CCC[N]4=Cc5cccc6c5[O]5[Cu]14[O]2[Tb]1245([O]3C)([O]6C)(ON(=O)=[O]1)(ON(=O)=[O]2)ON(=O)=[O]4.CC(=O)C
• Title of publication: [μ-<i>N</i>,<i>N</i>'-Bis(3-methoxy-2-oxidobenzylidene)propane-1,3-diamine]trinitratocopper(II)terbium(III) acetone solvate
• Authors of publication: Fei, Liu; Fang, Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m406 - m406
• a: 9.388 ± 0.005 Å
• b: 12.108 ± 0.006 Å
• c: 13.604 ± 0.006 Å
• α: 73.079 ± 0.016°
• β: 86.67 ± 0.02°
• γ: 72.33 ± 0.02°
• Cell volume: 1408.8 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes