Information card for entry 7104068

Structure parameters

• Formula: Br Cu H6 N2
• Calculated formula: Br Cu H6 N2
• Title of publication: One- and three-dimensional infinite arrays of Cu(I) centres exhibited by [Cu(NH3)2]Br and [Cu(NH3)Cl] in the solid state.
• Authors of publication: Wagner Matthias; Jan W. Bats; Michael Bolte; Hans-Wolfram Lerner; Gunter Margraf
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 6.602 ± 0.001 Å
• b: 12.879 ± 0.002 Å
• c: 5.861 ± 0.001 Å
• α: 90°
• β: 114.91 ± 0.02°
• γ: 90°
• Cell volume: 451.98 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No