Information card for entry 7712998

Structure parameters

• Formula: C H5 Br3 Cu2 N2
• Calculated formula: C H5 Br3 Cu2 N2
• Title of publication: Exceptional structural diversity of hybrid halocuprates(I) with methylammonium and formamidinium cations.
• Authors of publication: Belikova, Daria E.; Fateev, Sergey A.; Khrustalev, Victor N.; Marchenko, Ekaterina I.; Goodilin, Eugene A.; Wang, Shenghao; Tarasov, Alexey B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 11.6122 ± 0.0005 Å
• b: 11.5268 ± 0.0004 Å
• c: 12.5098 ± 0.0006 Å
• α: 90°
• β: 110.171 ± 0.005°
• γ: 90°
• Cell volume: 1571.76 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No