Information card for entry 7061275

Structure parameters

• Formula: C14 H28 Al N5 O16 S2
• Calculated formula: C14 H28 Al N5 O16 S2
• 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: 9.6791 ± 0.0017 Å
• b: 10.859 ± 0.002 Å
• c: 13.678 ± 0.003 Å
• α: 98.38 ± 0.006°
• β: 110.301 ± 0.006°
• γ: 98.772 ± 0.006°
• Cell volume: 1301.6 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No