Information card for entry 7110826

Structure parameters

• Formula: C41 H46 Cl5 Cu Dy N10 O12
• Calculated formula: C41 H43 Cl5 Cu Dy N10 O12
• SMILES: [Dy]123456([O]7[Cu]89%10%11[O]1c1c%12cc(Cl)cc1C=[N]%10CCN1CC[N]%11=Cc%10c7c(cc(Cl)c%10)C=[N]6CC[N]4(CC[N]5=C%12)CC[N]2=Cc2c([O]39)c(cc(Cl)c2)C=[N]8CC1)[O]=CN(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Synthesis and crystal structure of the first d‒f heterodinuclear Dy(iii)‒Cu(ii) cryptate
• Authors of publication: Chen, Qiu-Yun; Luo, Qin-Hui; Wang, Zhi-Lin; Chen, Jiu-Tong
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1033
• a: 19.6358 ± 0.0007 Å
• b: 11.8049 ± 0.0004 Å
• c: 21.5544 ± 0.0008 Å
• α: 90°
• β: 98.26°
• γ: 90°
• Cell volume: 4944.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.145
• 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: No