Information card for entry 8102076

Structure parameters

• Chemical name: tetrakis(μ-betaine-O,O')dibromo-dicopper(II) tetrabromocuprate(II) monohydrate
• Formula: C20 H46 Br6 Cu3 N4 O9
• Calculated formula: C20 H46 Br6 Cu3 N4 O9
• Title of publication: Crystal structure of tetrakis(μ-betaine-O,O')dibromodicopper (II) tetrabromocuprate(II) monohydrate, [Cu~2~{(CH~3~)~3~NCH~2~COO}~4~Br~2~] [CuBr~4~] · H~2~O, with a propeller-shaped dinuclear copper complex
• Authors of publication: Schreuer, J.; Wiehl, L.; Biehler, J.; Hofmann, P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 529 - 531
• a: 11.6813 ± 0.0007 Å
• b: 13.2849 ± 0.0014 Å
• c: 14.7189 ± 0.0013 Å
• α: 64.61 ± 0.009°
• β: 75.233 ± 0.006°
• γ: 74.823 ± 0.007°
• Cell volume: 1964.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No