Information card for entry 7719985

Structure parameters

• Formula: C57 H52 Mn2 N12 O S4
• Calculated formula: C57 H52 Mn2 N12 O S4
• Title of publication: Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization
• Authors of publication: Pilichos, Evangelos; Mayans, Julia; Escuer, Albert
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 8.5398 ± 0.0004 Å
• b: 10.3318 ± 0.0006 Å
• c: 15.7479 ± 0.0009 Å
• α: 86.416 ± 0.002°
• β: 82.774 ± 0.002°
• γ: 75.071 ± 0.002°
• Cell volume: 1331.24 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No