Information card for entry 7062466

Structure parameters

• Formula: C36 H63 Cl9 Co8 N36 O22
• Calculated formula: C36 H63 Cl9 Co8 N36 O22
• Title of publication: Co(ii/iii), Ni(ii) and Cu(ii) complexes with a pyrazole-functionalized 1,3,5-triazopentadiene: synthesis, structure and application in the oxidation of styrene to benzaldehyde
• Authors of publication: Mahmudov, Ibadulla; Gurbanov, Atash V.; Martins, Luísa M. D. R. S.; Abdullayev, Yusif; Sujayev, Afsun; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 10826 - 10833
• a: 16.4531 ± 0.0006 Å
• b: 16.4531 ± 0.0006 Å
• c: 20.2962 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4758.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No