Information card for entry 7211711

Structure parameters

• Formula: C20 H22 Bi Cu N5 O13
• Calculated formula: C20 H22 Bi Cu N5 O13
• SMILES: [Bi]123456([O](CC)c7c8[O]1[Cu]19[N](=Cc8ccc7)CC[N]1=Cc1cccc(c1[O]29)[O]3CC)(ON(=O)=[O]4)(ON(=[O]5)=O)ON(=O)=[O]6
• Title of publication: Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)
• Authors of publication: Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 470
• a: 8.5795 ± 0.001 Å
• b: 13.7534 ± 0.0012 Å
• c: 20.8299 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2457.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No