Information card for entry 7131272

Structure parameters

• Formula: C34 H22 Cl2 F12 Mn N2 O4
• Calculated formula: C34 H22 Cl2 F12 Mn N2 O4
• Title of publication: Slow magnetic relaxation in two mononuclear Mn(II) complexes not governed by the over-barrier Orbach process.
• Authors of publication: Mičová, Romana; Rajnák, Cyril; Titiš, Ján; Samoľová, Erika; Zalibera, Michal; Bieńko, Alina; Boča, Roman
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 18
• Pages of publication: 2612 - 2615
• a: 9.0957 ± 0.0012 Å
• b: 14.6737 ± 0.0014 Å
• c: 14.2674 ± 0.0017 Å
• α: 90°
• β: 107.613 ± 0.005°
• γ: 90°
• Cell volume: 1815 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0646
• 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: Yes
• Has Fobs: No