Information card for entry 7712996

Structure parameters

• Formula: C H6 Br2 Cu N
• Calculated formula: C H6 Br2 Cu N
• 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: 13.6073 ± 0.0008 Å
• b: 5.426 ± 0.0003 Å
• c: 8.3933 ± 0.0005 Å
• α: 90°
• β: 114.539 ± 0.0015°
• γ: 90°
• Cell volume: 563.73 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No