Information card for entry 7043090

Structure parameters

• Common name: CuSmvaldmpnN3
• Formula: C48 H72 Cu2 N22 O14 Sm2
• Calculated formula: C48 H72 Cu2 N22 O14 Sm2
• SMILES: [Sm]12345([O]6[Cu]78([O]1c1c(C=[N]8CC(C[N]7=Cc7c6c([O]2C)ccc7)(C)C)cccc1[O]3C)N=N#N)([OH]C)([N]([Sm]123([O]6[Cu]78[O]1c1c([O]3C)cccc1C=[N]8CC(C[N]7=Cc1c6c([O]2C)ccc1)(C)C)([OH]C)([N]4=N#N)([N]5=N#N)N=N#N)=N#N)N=N#N.OC.OC.OC.CO
• Title of publication: Syntheses, structures, and magnetic properties of a family of end-on azido-bridged CuII‒LnIII complexes
• Authors of publication: Huang, Xing-Cai; Zhao, Xin-Hua; Shao, Dong; Wang, Xin-Yi
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.427 ± 0.002 Å
• b: 13.0451 ± 0.0017 Å
• c: 34.166 ± 0.004 Å
• α: 90°
• β: 111.601 ± 0.008°
• γ: 90°
• Cell volume: 6392.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No