Information card for entry 4309946

Structure parameters

• Formula: C12 H16 Cu N5 O13 Tb
• Calculated formula: C12 H16 Cu N5 O13 Tb
• SMILES: [Tb]1234([O](Cc5[n]6cccc5)[Cu]56[O]1Cc1[n]5cccc1)(ON(=[O]3)=O)([O]=N(=O)O4)(ON(=[O]2)=O)([OH2])[OH2]
• Title of publication: Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes
• Authors of publication: Feng He; Ming-Liang Tong; Xiao-Ming Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8285 - 8292
• a: 7.6049 ± 0.0005 Å
• b: 19.5974 ± 0.0013 Å
• c: 13.6724 ± 0.0009 Å
• α: 90°
• β: 104.438 ± 0.001°
• γ: 90°
• Cell volume: 1973.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No