Information card for entry 2225084

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>'-Bis(3-methoxy-2-oxidobenzylidene)ethane-1,2-diaminium- κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']tris(nitrato- κ^2^<i>O</i>,<i>O</i>')erbium(III)
• Formula: C18 H20 Er N5 O13
• Calculated formula: C18 H20 Er N5 O13
• SMILES: c12c3cccc1=CNCCNC=c1cccc4c1=[O][Er]156(ON(=[O]5)=O)(ON(=O)=[O]6)([O]=2)([O]3C)([O]4C)ON(=O)=[O]1
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(3-methoxy-2-oxidobenzylidene)ethane-1,2-diaminium-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)
• Authors of publication: Gao, Ting; Li, Guang-Ming; Gao, Po; Yan, Peng-Fei; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m107
• a: 14.098 ± 0.003 Å
• b: 11.865 ± 0.002 Å
• c: 14.571 ± 0.003 Å
• α: 90°
• β: 103.98 ± 0.03°
• γ: 90°
• Cell volume: 2365.1 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes