Information card for entry 4509557

Structure parameters

• Formula: C100 H110 Cu5 K3 N13 O29.2
• Calculated formula: C100 H110 Cu5 K3 N13 O29.2
• Title of publication: Cocrystallized Dinuclear−Mononuclear CuII3NaIand Double-Decker−Triple-Decker CuII5KI3Complexes Derived fromN,N′-Ethylenebis(3-ethoxysalicylaldimine)
• Authors of publication: Hazra, Susanta; Koner, Rajesh; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3603
• a: 21.756 ± 0.002 Å
• b: 25.229 ± 0.002 Å
• c: 18.377 ± 0.002 Å
• α: 90°
• β: 94.654 ± 0.007°
• γ: 90°
• Cell volume: 10053.5 ± 1.6 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: 0.0609
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No