Information card for entry 7061277

Structure parameters

• Formula: C32 H44 Cu3 N14 O18 S4
• Calculated formula: C32 H44 Cu3 N14 O18 S4
• Title of publication: Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations
• Authors of publication: Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 5002 - 5011
• a: 6.8652 ± 0.0007 Å
• b: 17.5151 ± 0.0017 Å
• c: 20.2578 ± 0.0019 Å
• α: 74.458 ± 0.003°
• β: 89.112 ± 0.003°
• γ: 85.783 ± 0.003°
• Cell volume: 2340.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0615
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No