Information card for entry 7712997

Structure parameters

• Formula: C6 H15 Br4 Cu3 N2 O2
• Calculated formula: C6 H15 Br4 Cu3 N2 O2
• 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: 15.79 ± 0.0009 Å
• b: 15.8919 ± 0.0008 Å
• c: 6.266 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1572.35 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No