Information card for entry 1563894

Structure parameters

• Formula: C172 H136 Mn12 N22 O45
• Calculated formula: C172 H136 Mn12 N22 O45
• Title of publication: Manganese(II) complexes of tolfenamic acid or naproxen in polymeric structures or encapsulated in [15-MC-5] manganese(III) metallacrowns: Structure and biological activity
• Authors of publication: Tarushi, Alketa; Zampakou, Marianthi; Perontsis, Spyros; Lafazanis, Konstantinos; Pantazaki, Anastasia A.; Hatzidimitriou, Antonios G.; Geromichalos, George D.; Psomas, George
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 579 - 592
• a: 14.4804 ± 0.0006 Å
• b: 25.2609 ± 0.001 Å
• c: 25.7581 ± 0.001 Å
• α: 84.168 ± 0.002°
• β: 74.637 ± 0.002°
• γ: 78.393 ± 0.002°
• Cell volume: 8887.9 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No