Information card for entry 7211712

Structure parameters

• Formula: C40 H44 Ba Cu2 N6 O14.2
• Calculated formula: C40 H44 Ba Cu2 N6 O14.2
• 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: 11.7008 ± 0.0002 Å
• b: 31.3666 ± 0.0006 Å
• c: 12.3487 ± 0.0002 Å
• α: 90°
• β: 113.234 ± 0.001°
• γ: 90°
• Cell volume: 4164.6 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No