Information card for entry 1575261

Structure parameters

• Formula: C54 H39 Mn2 N5 O4 S2
• Calculated formula: C54 H39 Mn2 N5 O4 S2
• Title of publication: N₂O₂S-donor redox-active ligand coordinated dinuclear manganese(II) and cobalt(II) complexes: crystal structures, magnetic properties and electrochemical hydrogen evolution.
• Authors of publication: Ikbal, Asik; Das, Gouri Sankar; Mehta, Sakshi; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar; Diyali, Nilankar; Mondal, Abhishake; Biswas, Bhaskar; Das, Hari Sankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 33
• Pages of publication: 12447 - 12453
• a: 12.8991 ± 0.0002 Å
• b: 13.3726 ± 0.0003 Å
• c: 14.7277 ± 0.0002 Å
• α: 65.97 ± 0.002°
• β: 89.366 ± 0.001°
• γ: 89.621 ± 0.002°
• Cell volume: 2320.12 ± 0.08 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0314
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No