Information card for entry 7240114

Structure parameters

• Formula: C14 H22 Br8 Cu2 N4
• Calculated formula: C14 H22 Br8 Cu2 N4
• Title of publication: Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state
• Authors of publication: Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.7157 ± 0.0013 Å
• b: 22.709 ± 0.004 Å
• c: 7.5681 ± 0.0013 Å
• α: 90°
• β: 90.842 ± 0.007°
• γ: 90°
• Cell volume: 1325.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No