Information card for entry 4349122

Structure parameters

• Formula: C62 H50 Cl Fe3 N4 O17
• Calculated formula: C61.9998 H49.9998 Cl1.0002 Fe3 N4.0002 O17.0008
• Title of publication: Dynamic versus Static Character of the Magnetic Jahn-Teller Effect: Magnetostructural Studies of [Fe₃O(O₂CPh)₆(py)₃]ClO₄·py.
• Authors of publication: Georgopoulou, Anastasia N.; Margiolaki, Irene; Psycharis, Vassilis; Boudalis, Athanassios K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 762 - 772
• a: 13.368 ± 0.0001 Å
• b: 13.368 ± 0.0001 Å
• c: 19.0237 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2944.14 ± 0.04 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No