Information card for entry 4322057

Structure parameters

• Formula: C45 H55 Cu5 Eu N19 O24
• Calculated formula: C48 H62 Cu5 Eu N19 O25
• SMILES: [Eu]123456([O]7[Cu]89(OC%10=[N]7[Cu]7([O]4[N]4=C(O7)c7[n]([Cu]%114(OC4=[N]([Cu]%12(OC%13=[N]([Cu]%14(OC(=[N]9[O]1%14)c1[n]8cccc1)([O]=CN(C)C)[n]1ccccc%131)[O]2%12)([O]=CN(C)C)[n]1ccccc41)[O]3%11)[O]=CN(C)C)cccc7)[n]1ccccc%101)[O]=CN(C)C)([O]=N(O5)=O)ON(=O)=[O]6.O=CN(C)C.N(=O)(=O)[O-].N(C=O)(C)C
• Title of publication: The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes
• Authors of publication: Ann J. Stemmler; Jeff W. Kampf; Martin L. Kirk; Bassel H. Atasi; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2807 - 2817
• a: 16.319 ± 0.002 Å
• b: 21.863 ± 0.002 Å
• c: 18.41 ± 0.003 Å
• α: 90°
• β: 96.85 ± 0.01°
• γ: 90°
• Cell volume: 6521.5 ± 1.5 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 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: 0.1262
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for all reflections: 0.737
• Goodness-of-fit parameter for significantly intense reflections: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No