Information card for entry 7716883

Structure parameters

• Formula: C36 H36 Co N6 O4
• Calculated formula: C36 H36 Co N6 O4
• Title of publication: Coordination compounds of cobalt(II) with carboxylate non–steroidal anti–inflammatory drugs: Structure and biological profile
• Authors of publication: Perontsis, Spyros; Hatzidimitriou, Antonios; Psomas, George L.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 19.151 ± 0.003 Å
• b: 7.9798 ± 0.0012 Å
• c: 22.577 ± 0.004 Å
• α: 90°
• β: 100.057 ± 0.006°
• γ: 90°
• Cell volume: 3397.2 ± 1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No