Information card for entry 7716887

Structure parameters

• Formula: C42 H38 Co N2 O6
• Calculated formula: C42 H38 Co N2 O6
• 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: 12.7879 ± 0.0016 Å
• b: 28.495 ± 0.004 Å
• c: 10.0793 ± 0.0015 Å
• α: 90°
• β: 94.441 ± 0.004°
• γ: 90°
• Cell volume: 3661.8 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No