Information card for entry 4342022

Structure parameters

• Formula: C54 H58 Br4 Cl4 N6 O6 Zn2
• Calculated formula: C54 H58 Br4 Cl4 N6 O6 Zn2
• Title of publication: Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.
• Authors of publication: Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 675 - 681
• a: 21.456 ± 0.002 Å
• b: 15.867 ± 0.002 Å
• c: 20.628 ± 0.003 Å
• α: 90°
• β: 120.608 ± 0.003°
• γ: 90°
• Cell volume: 6044.2 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No