Information card for entry 7064370

Structure parameters

• Formula: C28 H34 Cl2 Mn2 N4 O2
• Calculated formula: C28 H34 Cl2 Mn2 N4 O2
• Title of publication: Transmetalated synthesis of homodinuclear MnII and CoII complexes containing Robson type macrocyclic ligands: crystal structure, magnetic investigation and DFT calculations
• Authors of publication: Pramanik, Abhishek; Majumder, Samit; Hazra, Susanta; Mohanta, Sasankasekhar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 9.7907 ± 0.0006 Å
• b: 11.778 ± 0.0007 Å
• c: 13.208 ± 0.0008 Å
• α: 90°
• β: 110.505 ± 0.002°
• γ: 90°
• Cell volume: 1426.58 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No