Information card for entry 7712999

Structure parameters

• Formula: C3 H15 Br4 Cu N6
• Calculated formula: C3 H15 Br4 Cu N6
• 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: 13.4047 ± 0.0006 Å
• b: 13.4047 ± 0.0006 Å
• c: 8.4141 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1511.9 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No