Information card for entry 7240115

Structure parameters

• Formula: C16 H28 Br6 N4 O2 Zn2
• Calculated formula: C16 H28 Br6 N4 O2 Zn2
• 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: 7.7044 ± 0.0009 Å
• b: 10.1649 ± 0.0013 Å
• c: 10.5702 ± 0.0013 Å
• α: 62.697 ± 0.004°
• β: 74.1 ± 0.005°
• γ: 85.369 ± 0.005°
• Cell volume: 706.46 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.2664
• Weighted residual factors for all reflections included in the refinement: 0.2697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No